units lj atom_style bond boundary s s s neighbor 2.0 bin neigh_modify every 5 delay 20 check yes atom_modify sort 10000 2.0 read_data init.data group te type 1 group ce type 2 fix 1 all nve fix 2 all langevin 1.0 1.0 1.0 51531 thermo 100000 thermo_style custom step temp epair ke pe etotal dump 1 all custom 10000 pos.dump id type x y z dump_modify 1 sort id region nucleus sphere 500.0 500.0 500.0 15.0 side in fix wall1 all wall/region nucleus lj126 1.0 1.0 1.12 fix wall2 te spring tether 50.0 500.0 500.0 500.0 14.0 fix wall3 ce spring tether 50.0 500.0 500.0 500.0 14.0 ## Between non-bonded atoms pair_style lj/cut 1.12246152962189 pair_modify shift yes pair_coeff 1 1 1.0 1.0 1.12246152962189 pair_coeff 2 2 1.0 1.0 1.12246152962189 pair_coeff 1 2 1.0 1.0 1.12246152962189 run 10000000