# input file for polymer nanocomposite units lj atom_style full neighbor 0.36 bin neigh_modify delay 10 pair_style lj/cut 1.12246 bond_style fene read_data ../data.ncyl timestep 0.005 pair_coeff 1 1 1.0 1.0 1.12246 pair_coeff 2 2 1.0 1.0 1.12246 pair_coeff 1 2 1.0 1.0 2.5 bond_coeff * 30.0 1.5 1.0 1.0 thermo_style custom step eng pe ke temp press thermo 10 fix 1 all nvt 1.0 1.0 1.0 dump 2 all custom 500 ncomp.trj tag type x y z dump_modify 2 format "%5d %5d %8.4f %8.4f %8.4f" run 50000