#LAMMPS Input units lj atom_style bond boundary p p p read_restart KG_model.rst reset_timestep 0 include PARM.FILE # production # group mobile union all timestep 0.006 fix 1 mobile nve fix 2 mobile langevin 1.0 1.0 2.0 904287 run 20000000 write_restart KGnvt.rst unfix 1 unfix 2