&GLOBAL
  PRINT_LEVEL MEDIUM
  PROJECT H2O_TMC
  RUN_TYPE TMC
  WALLTIME 10
  #TRACE
&END GLOBAL

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      &BEND
        ATOMS H O H
        K 0.05
        THETA0 1.82422
      &END BEND
      &BEND
        ATOMS H N H
        K 0.05
        THETA0 1.82422
      &END BEND
      &BOND
        ATOMS O H
        K 0.05
        R0 0.97572
      &END BOND
      &BOND
        ATOMS N H
        K 0.05
        R0 0.97572
      &END BOND
      &CHARGE
        ATOM O
        CHARGE -0.8476
      &END CHARGE
      &CHARGE
        ATOM H
        CHARGE 0.4238
      &END CHARGE
      &CHARGE
        ATOM N
        CHARGE -1.0
      &END CHARGE
      &NONBONDED
        &LENNARD-JONES
          ATOMS O O
          EPSILON 78.19580
          RCUT 5.0
          SIGMA 3.1655
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS O H
          EPSILON 0.0
          RCUT 5.0
          SIGMA 3.1655
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS H H
          EPSILON 0.0
          RCUT 5.0
          SIGMA 3.1655
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS N N
          EPSILON 78.19580
          RCUT 5.0
          SIGMA 3.1655
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS N H
          EPSILON 0.0
          RCUT 5.0
          SIGMA 3.1655
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS O N
          EPSILON 0.0
          RCUT 5.0
          SIGMA 3.1655
        &END LENNARD-JONES
      &END NONBONDED
      &SPLINE
        EMAX_SPLINE 1000000.0
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .40
        EWALD_ACCURACY 1.0E-2
        EWALD_TYPE ewald
        GMAX 11
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 13.5 13.5 13.5
    &END CELL
    &COORD
      O           2.00000000          0.00001933         -0.11169231 H2O
      H           2.00000000         -0.74776929          0.49834558 H2O
      H           2.00000000          0.74773778          0.49844487 H2O
      O          -0.00000000          0.00001933         -0.11169231 H2O
      H          -0.00000000         -0.74776929          0.49834558 H2O
      H          -0.00000000          0.74773778          0.49844487 H2O
      N           0.00000000          0.02581810          4.91169188 NH4
      H           0.00000000          1.02507555          5.02787619 NH4
      H           0.86459891         -0.47494074          5.02716690 NH4
      H          -0.86459891         -0.47494074          5.02716690 NH4
      O          -2.00000000          0.00001933         -0.11169231 H2O
      H          -2.00000000         -0.74776929          0.49834558 H2O
      H          -2.00000000          0.74773778          0.49844487 H2O
    &END COORD
    #    &TOPOLOGY
    #      CONNECTIVITY MOL_SET
    #      &MOL_SET
    #        &MOLECULE
    #          NMOL 7
    #          CONN_FILE_NAME topology_fist_WAT.psf
    #        &END
    #      &END
    #    &END
  &END SUBSYS
&END FORCE_EVAL
