&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      ! PARM91
      ! VDW_SCALE14 0.5
      ! EI_SCALE14  0.5
      ! PARM94 and Following
      VDW_SCALE14 0.5
      EI_SCALE14  0.83333333333333333333
      parm_file_name ../sample_pot/cubane.pot
      parmtype CHM
      SHIFT_CUTOFF .false.
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        ALPHA .36
        GMAX 64
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 30.0 30.0 30.0
    &END CELL
    &TOPOLOGY
      CONN_FILE_NAME ../sample_psf/cubane.psf
      CONNECTIVITY PSF
      COORD_FILE_NAME ../sample_pdb/cubane_15.pdb
      COORDINATE PDB
    &END TOPOLOGY
    &PRINT
      &TOPOLOGY_INFO
        UTIL_INFO
      &END
    &END
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT cubane_15
  PRINT_LEVEL DEBUG
  RUN_TYPE GEO_OPT
  #RUN_TYPE MD
&END GLOBAL
&MOTION
  &GEO_OPT
    MAX_ITER 50
  &END
  &MD
    ENSEMBLE NPT_F
    STEPS 5
    TIMESTEP 0.5
  &END
  &PRINT
    &TRAJECTORY
      FILENAME __STD_OUT__
      FORMAT ATOMIC
    &END
  &END
&END MOTION
