&GLOBAL
  PROJECT water32_hbonds_3
  RUN_TYPE MD
&END GLOBAL

&MOTION
  &CONSTRAINT
    &HBONDS
      ATOM_TYPE O
      MOLECULE 1 2 3 4
      TARGETS 2.2
    &END HBONDS
  &END CONSTRAINT
  &MD
    ENSEMBLE NVE
    STEPS 10
    TEMPERATURE 300.0
    TIMESTEP 2.5
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD Fist
  &MM
    &FORCEFIELD
      &BEND
        ATOMS H O H
        K 0.025
        THETA0 1.8
      &END BEND
      &BOND
        ATOMS O H
        K 0.0
        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 .5
        EWALD_TYPE spme
        GMAX 20
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 9.865 9.865 9.865
    &END CELL
    &COORD
      O                   0.821  -4.406   6.516   H2O
      H                   0.847  -3.675   7.225   H2O
      H                  -0.014  -4.240   5.988   H2O
      O                   1.577   3.933   3.762   H2OY
      H                   1.221   2.975   3.640   H2OY
      H                   1.367   4.126   4.659   H2OY
      O                  -2.111  -3.741  -0.219   H2O
      H                  -1.378  -4.425  -0.036   H2O
      H                  -1.825  -2.775   0.003   H2O
      O                   3.655   3.021   0.988   H2OZ
      H                   2.706   3.053   1.282   H2OZ
      H                   3.542   2.615   0.020   H2OZ
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
