&GLOBAL
  PROJECT water
  RUN_TYPE md
&END GLOBAL

&MOTION
  &FREE_ENERGY
    &METADYN
      PLUMED_INPUT_FILE ./water.plumedinp
      USE_PLUMED .TRUE.
    &END METADYN
  &END FREE_ENERGY
  &MD
    ENSEMBLE NVT
    STEPS 5
    TEMPERATURE 298
    TIMESTEP 2.5
    &THERMOSTAT
      REGION MOLECULE
      &NOSE
        LENGTH 3
        MTS 2
        TIMECON 1000
        YOSHIDA 3
      &END NOSE
    &END THERMOSTAT
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      &BEND
        ATOMS H O H
        K 0.
        THETA0 1.8
      &END BEND
      &BOND
        ATOMS O H
        K 0.
        R0 1.8
      &END BOND
      &CHARGE
        ATOM O
        CHARGE -0.8476
      &END CHARGE
      &CHARGE
        ATOM H
        CHARGE 0.4238
      &END CHARGE
      &NONBONDED
        &LENNARD-JONES
          ATOMS O O
          EPSILON 78.198
          RCUT 11.4
          SIGMA 3.166
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS O H
          EPSILON 0.0
          RCUT 11.4
          SIGMA 3.6705
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS H H
          EPSILON 0.0
          RCUT 11.4
          SIGMA 3.30523
        &END LENNARD-JONES
      &END NONBONDED
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .44
        EWALD_TYPE ewald
        GMAX 21
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 24.955 24.955 24.955
    &END CELL
    &COORD
      O  22.9836691917178939 6.93183557997552668 0.754607553842305823  H2O
      H  23.1493887587765457 6.38145839360815526 1.57291188465716791   H2O
      H  23.8522379765498265 7.11351376960166615 0.293542155628028989  H2O
      O  9.55748115579216773 10.1625527712466361 -12.8321807856825103  H2O
      H  9.48825863164111638 10.8031673228011336 -13.5969168437373611  H2O
      H  8.66207900403075648 9.75244702889359871 -12.6587787478834102  H2O
      O  19.8436465738885985 10.0378451904347870 9.93036518412813862   H2O
      H  19.1357369126550836 9.37699136789161081 9.68109397285001450   H2O
      H  19.9908902622388958 10.0115791753817565 10.9191166153261410   H2O
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
