&GLOBAL
  PROJECT NaCl_fe
  RUN_TYPE MD
&END GLOBAL

&MOTION
  &CONSTRAINT
    &COLLECTIVE
      COLVAR 1
      INTERMOLECULAR
      &RESTRAINT
        K 0.05
      &END RESTRAINT
    &END COLLECTIVE
    &G3X3
      ATOMS 1 2 3
      DISTANCES 1.8897268 1.8897268 3.0859239
      MOLECULE 3
    &END G3X3
  &END CONSTRAINT
  &FREE_ENERGY
    METHOD UI
    &UMBRELLA_INTEGRATION
      &CONVERGENCE_CONTROL
        COARSE_GRAINED_POINTS 2
        COARSE_GRAINED_WIDTH 3
        EPS_CONV 0.5
        MAX_COARSE_GRAINED_WIDTH 3
      &END CONVERGENCE_CONTROL
      &UVAR
        COLVAR 1
      &END UVAR
    &END UMBRELLA_INTEGRATION
  &END FREE_ENERGY
  &MD
    ENSEMBLE NVE
    STEPS 10
    TEMPERATURE 298
    TIMESTEP 1.0
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      PARMTYPE CHM
      PARM_FILE_NAME ../sample_pot/NaCl_wat.pot
      &CHARGE
        ATOM OT
        CHARGE -0.8476
      &END CHARGE
      &CHARGE
        ATOM HT
        CHARGE 0.4238
      &END CHARGE
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .44
        EWALD_TYPE spme
        GMAX 25
        NS_MAX 50
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 28.912 29.461 29.496
    &END CELL
    &COLVAR
      &DISTANCE
        ATOMS 1 2
      &END DISTANCE
    &END COLVAR
    &TOPOLOGY
      CONNECTIVITY PSF
      CONN_FILE_NAME ../sample_psf/NaCl_wat.psf
      COORDINATE pdb
      COORD_FILE_NAME ../sample_pdb/NaCl_wat.pdb
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
