# Template input script to link monomers together # # Fundamental setting units lj boundary s s s atom_style angle # read data: which is generated from last run ( and will be rewritten every time ) read_data ./data.100 # reset to time stamp from last run reset_timestep 497500 # pair and bond information pair_style lj/cut 2.5 pair_coeff * * 1 1 2.5 bond_style harmonic bond_coeff 1 1000 1 bond_coeff 2 1000 1 angle_style harmonic angle_coeff 1 10.0 180 # set restart for next run fix 1 all nvt 2 2 100 drag 1.5 timestep 0.0025 thermo 1250 dump 1 all atom 50 test.dump dump_modify 1 scale no run 500