log out_wall3d_42 units real atom_style sphere dimension 3 boundary p p p read_data data.r42 lattice sc 1.0 group mobs type 1 group sits type 2 velocity sits set 0.0 0.0 0.0 dump 1 all xyz 1000 wall3d_42.xyz pair_style hybrid/overlay yukawa/colloid 0.087 1000.0 lj/cut 1000.0 pair_coeff 1 1 yukawa/colloid 3.583e-5 1000.0 pair_coeff 1 2 lj/cut 50e0 100.0 1000.0 pair_coeff 2 2 lj/cut 1.00e-08 1.0000 010.0 shell rm pairlj.data_42 pair_write 1 1 100 r 50. 800.0 pairlj.data_42 '#Potential' 1.0 1.0 timestep 1e04 thermo 100 fix efix all nve thermo_style custom step etotal xlo xhi ylo yhi zlo zhi compute msqD mobs msd variable masada equal c_msqD[4] compute mobtemp mobs temp variable motem equal c_mobtemp neighbor 1 bin neigh_modify delay 0 every 1 check no region slblock block -INF -0500 -INF INF -INF INF side out region cplane plane 2500 0 0 -1 0 0 fix slbls mobs wall/region slblock harmonic 1.00e02 100.00 200.0 fix cpls mobs wall/region cplane lj126 1.0e01 100.00 500.0 thermo_style custom step v_motem etotal pe ke evdwl ecoul v_masada lx ly lz thermo_modify format 1 Step:%-12.8d format 2 %15.5e format 3 %12.5e format 4 %12.3e format 5 %12.3e format 6 %12.3e format 7 %12.3e format 8 %12.3e format 9 %12.3e format 10 %12.3e format 11 %12.3e thermo 5000 fix profile mobs ave/spatial 0500 50 050000 x lower 400 density/number file xdens.prof_42 fix tfix mobs temp/rescale 1 1000 1000 0.01 01 run 050000 unfix tfix fix tfix mobs temp/rescale 1 0300.0 0300.00 0.01 01 run 50000 unfix tfix unfix cpls region cplane delete fix tfix mobs temp/rescale 1 0300.0 0300.00 0.01 01 run 150000 unfix tfix