&GLOBAL
  PROJECT md_gal19
  RUN_TYPE energy
&END GLOBAL

&MOTION
  &CONSTRAINT
    &FIXED_ATOMS
      LIST 1..192  !Pt atoms
    &END FIXED_ATOMS
    &G3X3
      ATOMS 1 2 3
      DISTANCES 1.808845716 1.808845716 2.860856174
      MOLNAME WAT  !To be specified in the coord.inc file
    &END G3X3
  &END CONSTRAINT
  &MD
    ENSEMBLE NVT
    STEPS 10
    TEMPERATURE 298
    TIMESTEP 2
    &THERMOSTAT
    &END THERMOSTAT
  &END MD
  &PRINT
    &TRAJECTORY
      &EACH
        MD 1
      &END EACH
    &END TRAJECTORY
  &END PRINT
&END MOTION

&MULTIPLE_FORCE_EVALS
  FORCE_EVAL_ORDER 1 2 3
&END MULTIPLE_FORCE_EVALS

&FORCE_EVAL
  METHOD MIXED
  &MIXED
    GROUP_PARTITION 1 1
    # MIXING_TYPE LINEAR_COMBINATION
    MIXING_TYPE GENMIX
    &GENERIC
      # X: Energy force_eval 2
      # Y: Energy force_eval 3
      MIXING_FUNCTION X+Y
      VARIABLES X Y
    &END GENERIC
  &END MIXED
  &SUBSYS
    &CELL
      ABC 16.8721334845359721 19.4822616182002832 75
      ALPHA_BETA_GAMMA 90 90 90
      PERIODIC XYZ
    &END CELL
    &COORD
      @INCLUDE "coord-gal19.inc"
    &END COORD
    &TOPOLOGY
      &GENERATE
        BONDPARM_FACTOR 0.95
      &END GENERATE
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      IGNORE_MISSING_CRITICAL_PARAMS T
      MULTIPLE_POTENTIAL .TRUE.
      &CHARGE
        ATOM O
        CHARGE -0.830
      &END CHARGE
      &CHARGE
        ATOM Pt
        CHARGE 0.0
      &END CHARGE
      &CHARGE
        ATOM H
        CHARGE 0.415
      &END CHARGE
      &NONBONDED
        &LENNARD-JONES
          ATOMS O O
          EPSILON [kcalmol] 0.102
          RCUT 10
          SIGMA [angstrom] 3.188
        &END LENNARD-JONES
      &END NONBONDED
      &SPLINE
        EMAX_SPLINE 10
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        GMAX 17 20 75  !About box dimensions
      &END EWALD
    &END POISSON
  &END MM
&END FORCE_EVAL

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      IGNORE_MISSING_CRITICAL_PARAMS T
      &NONBONDED
        &GAL19
          A 26445.8258883
          A1 35.2466895952
          A2 12.8710527902
          A3 -5.5830632106
          A4 3.13229216299
          ATOMS Pt O
          B 3.7168091
          BXY .8941304
          BZ .1295121
          C 917.455856665695
          EPSILON 17.3927912218
          FIT_EXPRESS FALSE
          METALS Pt Cu
          R 2.4120767 4.0
          RCUT 8
          &GCN
            @INCLUDE "gcn.inc"
          &END GCN
        &END GAL19
        &WILLIAMS
          A [kcalmol] 3010.3280558906
          ATOMS Pt H
          B 1/.347004
          C 0.0
          RCUT 8
        &END WILLIAMS
      &END NONBONDED
      &SPLINE
        EMAX_SPLINE 10
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        GMAX 17 20 75  !About box size
      &END EWALD
    &END POISSON
  &END MM
&END FORCE_EVAL
