&GLOBAL
  PROJECT water_3_dist_startC
  RUN_TYPE MD
&END GLOBAL

&MOTION
  &CONSTRAINT
    CONSTRAINT_INIT
    &COLLECTIVE
      COLVAR 1
      MOLECULE 1
      TARGET 1.8897268
    &END COLLECTIVE
    &COLLECTIVE
      COLVAR 2
      MOLECULE 1
      TARGET 1.8897268
    &END COLLECTIVE
    &COLLECTIVE
      COLVAR 3
      MOLECULE 1
      TARGET 3.0859239
    &END COLLECTIVE
  &END CONSTRAINT
  &MD
    ENSEMBLE NVE
    STEPS 10
    TEMPERATURE 298
    TIMESTEP 2.5
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      PARMTYPE CHM
      PARM_FILE_NAME ../sample_pot/water.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 pme
        NS_MAX 25
      &END EWALD
    &END POISSON
  &END MM
  &PRINT
    &FORCES
    &END FORCES
  &END PRINT
  &SUBSYS
    &CELL
      ABC 24.955 24.955 24.955
    &END CELL
    &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
      COORDINATE pdb
      COORD_FILE_NAME ../sample_pdb/water_2.pdb
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
