# --- Running LAMMPS --- # -- Prerequisites: -- # The "run.in.nvt" LAMMPS input script links to the input # scripts and data files you hopefully have created earlier # with moltemplate.sh: # system.in.init, system.in.settings, system.data # If not, carry out the instructions in "README_run_moltemplate.sh". # # -- Instructions: -- # If "lmp_mpi" is the name of the command you use to invoke lammps, # then you would run lammps this way: lmp_mpi -i run.in.nvt # NOTE: BECAUSE ALL OF THE ORIGINAL FORCE FIELD PARAMETERS WERE INTENTIONALLY # REMOVED, THE SYSTEM WILL MOVE IN A VERY UNREALISTIC WAY.