units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.235 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.233 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.235 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.235 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.235 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.235 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.235 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.235 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.236 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.235 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 units real atom_style full boundary p p p pair_style lj/charmm/coul/long 8.0 12.0 kspace_style pppm 1e-6 dielectric 1.000000 bond_style harmonic angle_style harmonic dihedral_style fourier improper_style cvff special_bonds amber pair_modify mix arithmetic neighbor 2.0 bin neigh_modify delay 0 every 1 check yes read_data eq4.data Reading data file ... orthogonal box = (-23.271464 -23.271464 -23.271464) to (23.271464 23.271464 23.271464) 1 by 1 by 1 MPI processor grid reading atoms ... 10000 atoms reading velocities ... 10000 velocities scanning bonds ... 4 = max bonds/atom scanning angles ... 6 = max angles/atom scanning dihedrals ... 15 = max dihedrals/atom scanning impropers ... 1 = max impropers/atom reading bonds ... 10610 bonds reading angles ... 18720 angles reading dihedrals ... 29850 dihedrals reading impropers ... 2480 impropers Finding 1-2 1-3 1-4 neighbors ... special bond factors lj: 0 0 0.5 special bond factors coul: 0 0 0.8333333333333334 4 = max # of 1-2 neighbors 8 = max # of 1-3 neighbors 18 = max # of 1-4 neighbors 22 = max # of special neighbors special bonds CPU = 0.006 seconds read_data CPU = 0.234 seconds thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz thermo_modify flush yes thermo 1000 dump dump0 all custom 1000 eq4.dump id type mol x y z ix iy iz vx vy vz dump xtc0 all xtc 1000 eq4.xtc dump_modify xtc0 unwrap yes restart 10000 radon_md_1.rst radon_md_2.rst timestep 1.000000 compute cmol1 all chunk/atom molecule nchunk once limit 0 ids once compress no # rg compute gyr1 all gyration/chunk cmol1 fix rg1 all ave/time 1 1000 1000 c_gyr1 file rg4.profile mode vector # msd compute msd1 all msd com yes average no fix msd1 all ave/time 1 1000 1000 c_msd1[4] mode scalar variable msd equal f_msd1 thermo_style custom step time temp press enthalpy etotal ke pe ebond eangle edihed eimp evdwl ecoul elong etail vol lx ly lz density pxx pyy pzz pxy pxz pyz v_msd WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:904) thermo_modify flush yes thermo 1000 fix shake1 all shake 1e-4 1000 0 m 1.0 Finding SHAKE clusters ... 0 = # of size 2 clusters 0 = # of size 3 clusters 20 = # of size 4 clusters 0 = # of frozen angles find clusters CPU = 0.003 seconds # npt fix md1 all npt temp 100.000000 100.000000 100.000000 iso 1.000000 1.000000 1000.000000 nreset 1000 run 5000000 PPPM initialization ... using 12-bit tables for long-range coulomb (src/kspace.cpp:342) G vector (1/distance) = 0.24008387 grid = 27 27 27 stencil order = 5 estimated absolute RMS force accuracy = 0.00030944896 estimated relative force accuracy = 9.3189635e-07 using double precision FFTW3 3d grid and FFT values/proc = 39304 19683 Generated 10 of 10 mixed pair_coeff terms from arithmetic mixing rule No /omp style for force computation currently active Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 14 ghost atom cutoff = 14 binsize = 7, bins = 7 7 7 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/charmm/coul/long/opt, perpetual attributes: half, newton on, omp pair build: half/bin/newton/omp stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 75.11 | 75.11 | 75.11 Mbytes Step Time Temp Press Enthalpy TotEng KinEng PotEng E_bond E_angle E_dihed E_impro E_vdwl E_coul E_long E_tail Volume Lx Ly Lz Density Pxx Pyy Pzz Pxy Pxz Pyz v_msd 0 0 100.98583 -0.56952492 4311.153 4311.9904 3003.8744 1308.1161 1399.899 1787.0422 614.03661 11.370409 -3419.1979 7367.4508 -6452.4851 0 100823.35 46.542929 46.542929 46.542929 1.1506649 -379.06948 146.90552 230.45539 -234.18401 364.41386 325.97968 0 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 1000 1000 98.966536 -304.02482 3826.4226 4273.7167 2943.8094 1329.9073 1380.0027 1803.1652 628.1374 11.48586 -3406.1411 7366.2315 -6452.9744 0 100880.74 46.551758 46.551758 46.551758 1.1500104 -381.81988 -285.27814 -244.97644 315.35011 61.948678 293.57777 0.12557234 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 2000 2000 100.27723 153.00489 4505.3341 4280.3764 2982.7966 1297.5798 1365.9043 1821.779 611.6284 11.62295 -3432.3795 7371.9543 -6452.9296 0 100813.74 46.54145 46.54145 46.54145 1.1507746 180.42503 -131.17284 409.76248 -157.24833 -74.552567 677.55983 0.17201131 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 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46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 3000 3000 100.73308 -85.14023 4193.2451 4318.4306 2996.3562 1322.0744 1382.1021 1819.7284 628.89756 11.813383 -3438.8519 7371.46 -6453.0751 0 100819.2 46.542289 46.542289 46.542289 1.1507124 493.83475 -779.94309 30.68765 -249.32515 307.79321 107.9857 0.1687742 4000 4000 99.148767 680.86353 5253.2514 4253.0693 2949.23 1303.8393 1392.0074 1806.8515 593.57623 11.037594 -3413.2386 7367.1956 -6453.5904 0 100726.36 46.528 46.528 46.528 1.1517729 -245.08 372.07762 1915.593 -261.31667 540.10303 633.44906 0.16992463 4000 4000 99.148767 680.86353 5253.2514 4253.0693 2949.23 1303.8393 1392.0074 1806.8515 593.57623 11.037594 -3413.2386 7367.1956 -6453.5904 0 100726.36 46.528 46.528 46.528 1.1517729 -245.08 372.07762 1915.593 -261.31667 540.10303 633.44906 0.16992463 4000 4000 99.148767 680.86353 5253.2514 4253.0693 2949.23 1303.8393 1392.0074 1806.8515 593.57623 11.037594 -3413.2386 7367.1956 -6453.5904 0 100726.36 46.528 46.528 46.528 1.1517729 -245.08 372.07762 1915.593 -261.31667 540.10303 633.44906 0.16992463 4000 4000 99.148767 680.86353 5253.2514 4253.0693 2949.23 1303.8393 1392.0074 1806.8515 593.57623 11.037594 -3413.2386 7367.1956 -6453.5904 0 100726.36 46.528 46.528 46.528 1.1517729 -245.08 372.07762 1915.593 -261.31667 540.10303 633.44906 0.16992463 4000 4000 99.148767 680.86353 5253.2514 4253.0693 2949.23 1303.8393 1392.0074 1806.8515 593.57623 11.037594 -3413.2386 7367.1956 -6453.5904 0 100726.36 46.528 46.528 46.528 1.1517729 -245.08 372.07762 1915.593 -261.31667 540.10303 633.44906 0.16992463 4000 4000 99.148767 680.86353 5253.2514 4253.0693 2949.23 1303.8393 1392.0074 1806.8515 593.57623 11.037594 -3413.2386 7367.1956 -6453.5904 0 100726.36 46.528 46.528 46.528 1.1517729 -245.08 372.07762 1915.593 -261.31667 540.10303 633.44906 0.16992463 4000 4000 99.148767 680.86353 5253.2514 4253.0693 2949.23 1303.8393 1392.0074 1806.8515 593.57623 11.037594 -3413.2386 7367.1956 -6453.5904 0 100726.36 46.528 46.528 46.528 1.1517729 -245.08 372.07762 1915.593 -261.31667 540.10303 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1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 8000 8000 100.29035 290.64504 4678.0104 4250.5051 2983.1871 1267.318 1359.565 1785.4375 607.52018 11.119236 -3412.7896 7368.8246 -6452.3589 0 100856.24 46.547989 46.547989 46.547989 1.1502897 175.04207 -253.8491 950.74214 35.69311 38.390064 411.2139 0.17754671 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 9000 9000 101.35237 322.86863 4799.8292 4325.0269 3014.7774 1310.2495 1376.3475 1780.1724 618.41118 11.354343 -3392.9764 7370.2702 -6453.3298 0 100834.93 46.544711 46.544711 46.544711 1.1505328 236.68255 145.36313 586.56022 78.088589 -326.51515 -91.667876 0.18084736 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 10000 10000 100.163 47.835782 4353.9553 4283.5227 2979.3988 1304.1239 1363.8288 1786.6412 607.01857 11.060668 -3390.335 7377.9886 -6452.0789 0 100958.94 46.563784 46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 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46.563784 46.563784 1.1491196 404.50171 521.80879 -782.80315 -139.0965 107.44765 251.28674 0.18239644 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 11000 11000 98.811733 702.91117 5286.2003 4252.5214 2939.2048 1313.3166 1350.9774 1802.5694 604.93768 11.112585 -3380.3406 7377.5556 -6453.4954 0 100834.54 46.544651 46.544651 46.544651 1.1505372 413.11937 -75.42112 1771.0353 295.24457 639.95978 348.69298 0.17324587 12000 12000 100.53447 -118.09693 4117.8317 4291.1625 2990.4484 1300.7141 1388.1573 1793.7631 609.23667 10.732282 -3424.3393 7376.1866 -6453.0225 0 100637.84 46.514365 46.514365 46.514365 1.1527861 -744.49021 3.2866279 386.91278 827.24449 -367.18531 793.09888 0.1783687 12000 12000 100.53447 -118.09693 4117.8317 4291.1625 2990.4484 1300.7141 1388.1573 1793.7631 609.23667 10.732282 -3424.3393 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7374.0279 -6452.4377 0 100962.02 46.564257 46.564257 46.564257 1.1490845 235.35869 -214.07598 -517.60364 506.25908 -113.80857 145.56026 0.17921532 14000 14000 99.284092 -165.44031 4024.3352 4267.9341 2953.2553 1314.6787 1409.0166 1774.5529 611.45689 11.261145 -3413.1991 7374.0279 -6452.4377 0 100962.02 46.564257 46.564257 46.564257 1.1490845 235.35869 -214.07598 -517.60364 506.25908 -113.80857 145.56026 0.17921532 14000 14000 99.284092 -165.44031 4024.3352 4267.9341 2953.2553 1314.6787 1409.0166 1774.5529 611.45689 11.261145 -3413.1991 7374.0279 -6452.4377 0 100962.02 46.564257 46.564257 46.564257 1.1490845 235.35869 -214.07598 -517.60364 506.25908 -113.80857 145.56026 0.17921532 14000 14000 99.284092 -165.44031 4024.3352 4267.9341 2953.2553 1314.6787 1409.0166 1774.5529 611.45689 11.261145 -3413.1991 7374.0279 -6452.4377 0 100962.02 46.564257 46.564257 46.564257 1.1490845 235.35869 -214.07598 -517.60364 506.25908 -113.80857 145.56026 0.17921532 14000 14000 99.284092 -165.44031 4024.3352 4267.9341 2953.2553 1314.6787 1409.0166 1774.5529 611.45689 11.261145 -3413.1991 7374.0279 -6452.4377 0 100962.02 46.564257 46.564257 46.564257 1.1490845 235.35869 -214.07598 -517.60364 506.25908 -113.80857 145.56026 0.17921532 14000 14000 99.284092 -165.44031 4024.3352 4267.9341 2953.2553 1314.6787 1409.0166 1774.5529 611.45689 11.261145 -3413.1991 7374.0279 -6452.4377 0 100962.02 46.564257 46.564257 46.564257 1.1490845 235.35869 -214.07598 -517.60364 506.25908 -113.80857 145.56026 0.17921532 14000 14000 99.284092 -165.44031 4024.3352 4267.9341 2953.2553 1314.6787 1409.0166 1774.5529 611.45689 11.261145 -3413.1991 7374.0279 -6452.4377 0 100962.02 46.564257 46.564257 46.564257 1.1490845 235.35869 -214.07598 -517.60364 506.25908 -113.80857 145.56026 0.17921532 14000 14000 99.284092 -165.44031 4024.3352 4267.9341 2953.2553 1314.6787 1409.0166 1774.5529 611.45689 11.261145 -3413.1991 7374.0279 -6452.4377 0 100962.02 46.564257 46.564257 46.564257 1.1490845 235.35869 -214.07598 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2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 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46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 15000 15000 99.374156 -67.134609 4190.1993 4289.0006 2955.9343 1333.0663 1407.5751 1767.5008 612.99612 11.223595 -3392.0188 7378.2384 -6452.4489 0 100911.42 46.556476 46.556476 46.556476 1.1496607 -564.83178 -85.804971 449.23292 -358.21788 -66.6248 298.96748 0.19198818 16000 16000 101.07231 -283.78118 3877.9203 4295.5203 3006.4469 1289.0734 1391.7214 1780.5694 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46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 26000 26000 99.564759 -264.37873 3837.714 4226.1135 2961.6039 1264.5097 1358.6679 1784.9258 612.82174 10.766047 -3420.2379 7369.8499 -6452.2838 0 100734.05 46.529183 46.529183 46.529183 1.151685 -348.99206 -292.01463 -152.1295 -295.37511 417.16942 -92.141772 0.17586022 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 27000 27000 101.20074 342.49828 4778.7674 4276.698 3010.2669 1266.4311 1334.8549 1788.225 615.38 11.277447 -3392.6349 7362.53 -6453.2014 0 100514.68 46.495383 46.495383 46.495383 1.1541985 311.51411 277.25055 438.73019 221.37889 -79.373613 -106.36878 0.21126974 28000 28000 100.04124 739.20285 5331.3498 4247.8709 2975.7772 1272.0937 1361.0378 1784.1107 616.39849 11.027087 -3411.6628 7363.7213 -6452.5388 0 100503.44 46.493651 46.493651 46.493651 1.1543275 464.26169 453.76316 1299.5837 299.65012 -410.33455 -7.0142582 0.19481713 28000 28000 100.04124 739.20285 5331.3498 4247.8709 2975.7772 1272.0937 1361.0378 1784.1107 616.39849 11.027087 -3411.6628 7363.7213 -6452.5388 0 100503.44 46.493651 46.493651 46.493651 1.1543275 464.26169 453.76316 1299.5837 299.65012 -410.33455 -7.0142582 0.19481713 28000 28000 100.04124 739.20285 5331.3498 4247.8709 2975.7772 1272.0937 1361.0378 1784.1107 616.39849 11.027087 -3411.6628 7363.7213 -6452.5388 0 100503.44 46.493651 46.493651 46.493651 1.1543275 464.26169 453.76316 1299.5837 299.65012 -410.33455 -7.0142582 0.19481713 28000 28000 100.04124 739.20285 5331.3498 4247.8709 2975.7772 1272.0937 1361.0378 1784.1107 616.39849 11.027087 -3411.6628 7363.7213 -6452.5388 0 100503.44 46.493651 46.493651 46.493651 1.1543275 464.26169 453.76316 1299.5837 299.65012 -410.33455 -7.0142582 0.19481713 28000 28000 100.04124 739.20285 5331.3498 4247.8709 2975.7772 1272.0937 1361.0378 1784.1107 616.39849 11.027087 -3411.6628 7363.7213 -6452.5388 0 100503.44 46.493651 46.493651 46.493651 1.1543275 464.26169 453.76316 1299.5837 299.65012 -410.33455 -7.0142582 0.19481713 28000 28000 100.04124 739.20285 5331.3498 4247.8709 2975.7772 1272.0937 1361.0378 1784.1107 616.39849 11.027087 -3411.6628 7363.7213 -6452.5388 0 100503.44 46.493651 46.493651 46.493651 1.1543275 464.26169 453.76316 1299.5837 299.65012 -410.33455 -7.0142582 0.19481713 28000 28000 100.04124 739.20285 5331.3498 4247.8709 2975.7772 1272.0937 1361.0378 1784.1107 616.39849 11.027087 -3411.6628 7363.7213 -6452.5388 0 100503.44 46.493651 46.493651 46.493651 1.1543275 464.26169 453.76316 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46.545467 46.545467 1.1504767 -579.98034 263.73938 -579.34173 -390.68116 -273.48493 273.60524 0.21471717 32000 32000 100.91838 -298.52756 3861.7699 4300.7982 3001.8681 1298.9301 1404.6587 1775.251 597.54615 10.81834 -3403.0618 7367.8743 -6454.1566 0 100839.85 46.545467 46.545467 46.545467 1.1504767 -579.98034 263.73938 -579.34173 -390.68116 -273.48493 273.60524 0.21471717 32000 32000 100.91838 -298.52756 3861.7699 4300.7982 3001.8681 1298.9301 1404.6587 1775.251 597.54615 10.81834 -3403.0618 7367.8743 -6454.1566 0 100839.85 46.545467 46.545467 46.545467 1.1504767 -579.98034 263.73938 -579.34173 -390.68116 -273.48493 273.60524 0.21471717 32000 32000 100.91838 -298.52756 3861.7699 4300.7982 3001.8681 1298.9301 1404.6587 1775.251 597.54615 10.81834 -3403.0618 7367.8743 -6454.1566 0 100839.85 46.545467 46.545467 46.545467 1.1504767 -579.98034 263.73938 -579.34173 -390.68116 -273.48493 273.60524 0.21471717 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 33000 33000 100.96911 -260.53231 3927.3721 4309.9631 3003.377 1306.5861 1378.2015 1782.339 621.20581 11.590874 -3408.9277 7374.8509 -6452.6743 0 100692.53 46.52279 46.52279 46.52279 1.1521598 -684.01928 -691.3154 593.73775 146.8194 61.632269 267.5477 0.21250052 34000 34000 101.51299 -242.83844 3943.6773 4301.2075 3019.5549 1281.6526 1367.5919 1802.517 603.49626 10.976603 -3425.9951 7376.3375 -6453.2715 0 100953.05 46.562878 46.562878 46.562878 1.1491866 205.78896 -664.18206 -270.12223 475.44715 -305.50219 -237.77103 0.19941936 34000 34000 101.51299 -242.83844 3943.6773 4301.2075 3019.5549 1281.6526 1367.5919 1802.517 603.49626 10.976603 -3425.9951 7376.3375 -6453.2715 0 100953.05 46.562878 46.562878 46.562878 1.1491866 205.78896 -664.18206 -270.12223 475.44715 -305.50219 -237.77103 0.19941936 34000 34000 101.51299 -242.83844 3943.6773 4301.2075 3019.5549 1281.6526 1367.5919 1802.517 603.49626 10.976603 -3425.9951 7376.3375 -6453.2715 0 100953.05 46.562878 46.562878 46.562878 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399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 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46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 42000 42000 100.20206 26.794499 4291.9987 4252.6009 2980.5607 1272.0402 1374.7397 1798.1332 598.71138 10.837332 -3426.2714 7369.7132 -6453.8231 0 100820.8 46.542537 46.542537 46.542537 1.150694 -625.10079 305.75973 399.72455 213.7349 -140.06266 378.6885 0.20223268 43000 43000 99.844693 87.831548 4409.2289 4280.4529 2969.9307 1310.5222 1404.1003 1793.2072 616.52849 10.987986 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