&GLOBAL
  PROJECT H2O-2-mul0
  RUN_TYPE MD
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 10
    TEMPERATURE 298
    TIMESTEP 0.5
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD Fist
  &MM
    &FORCEFIELD
      MULTIPLE_POTENTIAL
      &BEND
        ATOMS H O H
        K [rad^-2kcalmol] 55.0
        THETA0 [deg] 104.52
      &END BEND
      &BOND
        ATOMS O H
        K [angstrom^-2kcalmol] 450.0
        R0 [angstrom] 0.9572
      &END BOND
      &CHARGE
        ATOM O
        CHARGE -0.834
      &END CHARGE
      &CHARGE
        ATOM H
        CHARGE 0.417
      &END CHARGE
      &NONBONDED
        &LENNARD-JONES
          ATOMS O O
          EPSILON [kcalmol] 0.152073
          RCUT [angstrom] 11.4
          SIGMA [angstrom] 3.1507
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS O H
          EPSILON [kcalmol] 0.0836
          RCUT [angstrom] 11.4
          SIGMA [angstrom] 1.775
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS H H
          EPSILON [kcalmol] 0.04598
          RCUT [angstrom] 11.4
          SIGMA [angstrom] 0.400
        &END LENNARD-JONES
      &END NONBONDED
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .5
        EWALD_TYPE spme
        GMAX 12
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
    &END CELL
    &COORD
      O        -3.8785691310        5.2764260121        1.0006790295 H2O
      H        -3.0208695451        4.8843099287        1.1665969668 H2O
      H        -4.4253035786        4.5255560719        0.7690283147 H2O
    &END COORD
  &END SUBSYS
&END FORCE_EVAL
