&FORCE_EVAL
  METHOD FIST
  &MM
    &PRINT
      &DIPOLE
      &END
    &END
    &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-vib-mode-sel-int
  PRINT_LEVEL LOW
  RUN_TYPE NORMAL_MODES
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 100
    TIMESTEP 0.5
    TEMPERATURE 298
  &END MD
&END MOTION
&VIBRATIONAL_ANALYSIS
   NPROC_REP 4
   DX 0.01
   INTENSITIES
   &PRINT
     &PROGRAM_RUN_INFO ON
     &END
   &END
   &MODE_SELECTIVE
      FREQUENCY 3000
!    ATOMS 2 3
!     INITIAL_GUESS BFGS_HESS
   &END
&END
