&FORCE_EVAL
  METHOD QMMM
  &DFT
    BASIS_SET_FILE_NAME ../GTH_BASIS_SETS
    POTENTIAL_FILE_NAME ../POTENTIAL
    &MGRID
      COMMENSURATE
      CUTOFF 50
      &INTERPOLATOR
        EPS_R 1.0e-6
        EPS_X 1.0e-6
        MAXITER 100
      &END INTERPOLATOR
    &END MGRID
    &QS
    &END QS
    &SCF
      MAX_SCF 5
      SCF_GUESS atomic
    &END SCF
    &XC
      &XC_FUNCTIONAL pade
      &END XC_FUNCTIONAL
    &END XC
  &END DFT
  &QMMM
    MM_POTENTIAL_FILE_NAME ../MM_POTENTIAL
    &CELL
      ABC 6.0 6.0 6.0
    &END CELL
    ECOUPL GAUSS
    NOCOMPATIBILITY
    USE_GEEP_LIB 4
    &MM_KIND H
      RADIUS 0.54
    &END MM_KIND
    &MM_KIND O
      RADIUS 0.73
    &END MM_KIND
    &PRINT
      &MM_POTENTIAL
      &END MM_POTENTIAL
    &END PRINT
    &QM_KIND H
      MM_INDEX 2 3
    &END QM_KIND
    &QM_KIND O
      MM_INDEX 1
    &END QM_KIND
  &END
  &MM
    &FORCEFIELD
      parm_file_name ../sample_pot/../../../Fist/sample_pot/water.pot
      parmtype CHM
      &CHARGE
        ATOM OT
        CHARGE -0.8476
      &END CHARGE
      &CHARGE
        ATOM HT
        CHARGE 0.4238
      &END CHARGE
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE pme
        ALPHA .44
        NS_MAX 25
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 24.955 24.955 24.955
    &END CELL
    &COORD
OT   -0.757  -5.616  -7.101    MOL1
HT   -1.206  -5.714  -6.262    MOL1
HT    0.024  -5.102  -6.896    MOL1
OT  -11.317  -2.629  -9.689    MOL2
HT  -11.021  -3.080 -10.480    MOL2
HT  -10.511  -2.355  -9.252    MOL2
    &END
    &COLVAR
      &DISTANCE
        ATOMS 1 2
      &END DISTANCE
    &END COLVAR
    &COLVAR
      &DISTANCE
        ATOMS 1 3
      &END DISTANCE
    &END COLVAR
    &COLVAR
      &DISTANCE
        ATOMS 2 3
      &END DISTANCE
    &END COLVAR
    &TOPOLOGY
    &END TOPOLOGY
    &KIND H
      BASIS_SET SZV-GTH
      POTENTIAL GTH-PADE-q1
    &END KIND
    &KIND O
      BASIS_SET SZV-GTH
      POTENTIAL GTH-PADE-q6
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT water_3_dist
  RUN_TYPE MD
&END GLOBAL
&MOTION
  &CONSTRAINT
    &COLLECTIVE
      TARGET 1.8897268
      MOLNAME MOL1
      COLVAR 1
    &END COLLECTIVE
    &COLLECTIVE
      TARGET 1.8897268
      MOLNAME MOL1
      COLVAR 2
    &END COLLECTIVE
    &COLLECTIVE
      TARGET 3.0859239
      MOLNAME MOL1
      COLVAR 3
    &END COLLECTIVE
  &END CONSTRAINT
  &MD
    ENSEMBLE NVE
    STEPS 3
    TIMESTEP 1.0
    TEMPERATURE 298
  &END MD
&END MOTION
