units lj atom_style sphere atom_modify first big dimension 3 boundary p p p lattice none 1.0 region box block 0.0 17.68355173556070 0.0 17.68355173556070 0.0 17.68355173556070 create_box 2 box create_atoms 1 random 4000 1263 box set type 1 mass 1.0 set type 1 diameter 1.0 group big type 1 velocity big create 1.0 87287 loop geom pair_style lj/cut 1.1225 pair_modify shift yes pair_coeff 1 1 40.0 1.0 pair_coeff 2 2 0.0 1.0 0.0 pair_coeff 1 2 0.0 0.0 0.0 neighbor 0.3 bin neigh_modify delay 0 every 1 check yes reset_timestep 0 timestep 0.0001 fix 1 big nve/limit 0.1 compute tbig big temp variable pebig equal pe*atoms/count(big) variable ebig equal etotal*atoms/count(big) thermo_style custom step temp etotal v_pebig v_ebig press thermo_modify temp tbig thermo 100 run 2000 reset_timestep 0 create_atoms 2 random 1528077 541263 box set type 2 mass 0.00595238 set type 2 diameter 0.0 group small type 2 velocity small create 1.0 593849 loop geom velocity big create 1.0 87287 loop geom pair_style lj/cut 1.1225 pair_modify shift yes pair_coeff 1 1 40.0 1.0 pair_coeff 2 2 0.0 1.0 0.0 pair_coeff 1 2 2.5 0.465 0.5219 unfix 1 fix 2 all nve/limit 0.1 neighbor 0.3 bin neigh_modify delay 0 every 1 check yes comm_modify mode multi group big vel yes neigh_modify include big run 2000 reset_timestep 0 pair_style lj/cut 1.1225 pair_modify shift yes pair_coeff 1 1 40.0 1.0 pair_coeff 2 2 0.0 1.0 0.0 pair_coeff 1 2 0.0 1.0 0.0 velocity small create 1.0 593849 loop geom velocity big create 1.0 87287 loop geom timestep 0.0004486 unfix 2 fix 3 big nve fix 5 small srd 4 big 1.0 0.232558139534884 1448 collision slip flow fpoiss 0.0 overlap yes inside ignore radius 0.93 bounce 0 cubic error 0.01 shift yes 678410 thermo hecht 0.1 skipnone rescale yes thermo_style custom step temp etotal v_pebig v_ebig press f_5[4] f_5[5] f_5[9] thermo 1000 run 5000 reset_timestep 0 compute 1 small chunk/atom bin/1d x lower 0.72 fix 6 small ave/chunk 10 100 1000 1 vz norm all ave one file vel.profile dump 2 big custom 1000 dump_traj.srd.mixture id type x y z xu yu zu vx vy vz dump_modify 2 sort id pbc yes dump_modify 2 format float %.15f run 5000000