&GLOBAL
  PRINT_LEVEL LOW
  PROJECT mtd_test0_hill
  RUN_TYPE md
&END GLOBAL

&MOTION
  &CONSTRAINT
    &G3X3
      ATOMS 1 2 3
      DISTANCES 1.8897268 1.8897268 3.0859239
      MOLECULE 1
    &END G3X3
  &END CONSTRAINT
  &FREE_ENERGY
    METHOD METADYN
    &METADYN
      DO_HILLS T
      NT_HILLS 50
      WW 1.0e-4
      &METAVAR
        COLVAR 1
        SCALE 0.4
        &WALL
          POSITION 25.0
          TYPE QUADRATIC
          &QUADRATIC
            DIRECTION WALL_PLUS
            K 0.01
          &END QUADRATIC
        &END WALL
      &END METAVAR
      &PRINT
        &COLVAR
          COMMON_ITERATION_LEVELS 3
          &EACH
            MD 1
          &END EACH
        &END COLVAR
        &HILLS
          COMMON_ITERATION_LEVELS 3
          &EACH
            MD 1
          &END EACH
        &END HILLS
      &END PRINT
    &END METADYN
  &END FREE_ENERGY
  &MD
    ENSEMBLE NVE
    STEPS 1000
    TEMPERATURE 298
    TEMP_TOL 50.
    TIMESTEP 1.5
  &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
    &COLVAR
      &DISTANCE
        ATOMS 1 4
      &END DISTANCE
    &END COLVAR
    &COORD
      O         1.1274189403        0.0203885010       -0.0645225025  H2O
      H         1.7150615769        0.6494419975        0.4443670104  H2O
      H         1.2854004748       -0.9144223765        0.2535516481  H2O
      O        -2.1831607819       -0.0618324395       -0.0051722266  H2O
      H        -2.6230347760        0.3642527369        0.7853737928  H2O
      H        -1.4926282224        0.5585794002       -0.3769984099  H2O
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
