&GLOBAL
  IOLEVEL LOW
  PROJECT acn_respa
  RUN_TYPE md
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 4
    TEMPERATURE 300
    TIMESTEP 2.5
    &RESPA
      FREQUENCY 5
    &END RESPA
  &END MD
&END MOTION

&MULTIPLE_FORCE_EVALS
  FORCE_EVAL_ORDER 2 1
&END MULTIPLE_FORCE_EVALS

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      PARMTYPE CHM
      PARM_FILE_NAME ../sample_pot/acn_respa.pot
      &CHARGE
        ATOM CT
        CHARGE 0.000
      &END CHARGE
      &CHARGE
        ATOM YC
        CHARGE 0.000
      &END CHARGE
      &CHARGE
        ATOM YN
        CHARGE 0.000
      &END CHARGE
      &CHARGE
        ATOM HC
        CHARGE 0.000
      &END CHARGE
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .44
        EWALD_TYPE SPME
        GMAX 32
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
&END FORCE_EVAL

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      PARMTYPE CHM
      PARM_FILE_NAME ../sample_pot/acn.pot
      &CHARGE
        ATOM CT
        CHARGE -0.479
      &END CHARGE
      &CHARGE
        ATOM YC
        CHARGE 0.481
      &END CHARGE
      &CHARGE
        ATOM YN
        CHARGE -0.532
      &END CHARGE
      &CHARGE
        ATOM HC
        CHARGE 0.177
      &END CHARGE
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .44
        EWALD_TYPE SPME
        GMAX 32
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 27.0 27.0 27.0
    &END CELL
    &TOPOLOGY
      CONNECTIVITY GENERATE
      COORDINATE pdb
      COORD_FILE_NAME ../sample_pdb/acn.pdb
      MOL_CHECK
      &GENERATE
        BONDPARM_FACTOR 1.31
      &END GENERATE
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
