# demo for atom style template simulating a cyclohexane methane mixture # part 3: continuing from restart file # run the first part and write out restart include in.molecular-mix write_restart molecular-mix.restart # now restart clear molecule cychex cyclohexane.mol read_restart molecular-mix.restart thermo 100 fix 1 all nvt temp 300.0 300.0 1.0 # dump 1 all custom 100 custom template-mix.lammpstrj id xu yu zu run 2000 # clean up shell rm molecular-mix.restart