&FORCE_EVAL METHOD FIST &MM &FORCEFIELD parm_file_name ../sample_pot/pot_bond.pot parmtype CHM &END FORCEFIELD &POISSON &EWALD EWALD_TYPE spme ALPHA .44 GMAX 24 O_SPLINE 6 &END EWALD &END POISSON &END MM &SUBSYS &CELL ABC 24.955 24.955 24.955 &END CELL &TOPOLOGY CHARGE_O COORD_FILE_NAME ../sample_pdb/butane.pdb COORDINATE pdb &END TOPOLOGY &END SUBSYS &END FORCE_EVAL &GLOBAL PROJECT pot_bond RUN_TYPE md &END GLOBAL &MOTION &MD ENSEMBLE NVE STEPS 1 TIMESTEP 0.5 TEMPERATURE 298 &END MD &END MOTION