units lj atom_style angle #with stiffness boundary p p p neighbor 0.3 bin neigh_modify every 1 delay 1 check yes dump 1 all custom 10000 chain.N100.dump.* id x y z ix iy iz dump_modify 1 format "%d %.5f %.5f %.5f %d %d %d" restart 10000 chain.N100.restart read_data final.chain.N100.input thermo 1000 thermo_style custom step temp epair emol press pxx pyy pzz pxy pxz pyz vol angle_style cosine angle_coeff 1 0 pair_style lj/cut 1.12246152962189 pair_modify shift yes pair_coeff 1 1 1.0 1.0 bond_style fene bond_coeff 1 30.0 1.5 1.0 1.0 group all type 1 #create_group 2 mygroup #lattice fcc 3.52 fix 1 all nve #fix 1 all indent 10.0 sphere v_x v_y 0.0 v_radius side in #fix 1 all nph aniso 0.01 0.01 0.01 0.01 0.01 0.01 2.0 fix 2 all langevin 1.0 1.0 2.0 424242 #variable x equal "xlo + 0.25*lx" timestep 0.012 reset_timestep 0 run 10000