
&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      parm_file_name sample_pot/charmm.pot
      parmtype CHM
      &CHARGE
        ATOM CE2
        CHARGE -0.42
      &END CHARGE
      &CHARGE
        ATOM HE2
        CHARGE 0.21
      &END CHARGE
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE ewald
        ALPHA .44
        GMAX 23
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 24.955 24.955 24.955
    &END CELL
    &TOPOLOGY
      COORD_FILE_NAME sample_pdb/ethene.pdb
      COORDINATE pdb
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL

  PROJECT ethene
  RUN_TYPE md
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 100
    TIMESTEP 0.5
    TEMPERATURE 298
  &END MD
&END MOTION
