&GLOBAL
  PRINT_LEVEL LOW
  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
      &BOND
        ATOMS O 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
      &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
      &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 13.52118 15.61292 14.72000
    &END CELL
    &TOPOLOGY
      CONNECTIVITY MOL_SET
      COORD_FILE_FORMAT xyz
      COORD_FILE_NAME ./ice_Ih_96.xyz
      &MOL_SET
        &MOLECULE
          CONN_FILE_NAME topology_fist_WAT.psf
          NMOL 96
        &END MOLECULE
      &END MOL_SET
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
