variable t_hi equal 1.0 units lj atom_style atomic dimension 2 fix molprop all property/atom mol ghost yes read_data LAMMPS_INPUT.data fix molprop NULL Molecules mass * 1.0 pair_style soft 1.0 neighbor 5.0 bin neigh_modify delay 0 every 1 check yes exclude molecule/intra all thermo_style custom cpuremain step pe temp press thermo 20000 timestep 0.001 #### Push apart #### pair_coeff * * 0.0 variable prefactor equal ramp(0,60) fix soft all adapt 1 pair soft a * * v_prefactor fix 1 all rigid molecule fix 2 all enforce2d velocity all create ${t_hi} 87287 loop geom run 10000 unfix soft unfix 1 unfix 2 #### End Push apart #### #### Run rigid/nvt #### pair_coeff * * 60.0 thermo 1 fix 1 all rigid/nvt molecule temp ${t_hi} ${t_hi} 1000.0 fix 3 all enforce2d run 100 unfix 1 unfix 3