&GLOBAL
  PRINT_LEVEL LOW
  PROJECT bias_template
  RUN_TYPE MC
&END GLOBAL

&MOTION
  &MC
    ENSEMBLE TRADITIONAL
    ETA 0.0
    IPRINT 1
    LBIAS no
    LSTOP no
    NMOVES 1
    NSTEP 1
    PRESSURE 1.013
    RESTART no
    RESTART_FILE_NAME mc_restartb_1
    TEMPERATURE 398.0
    VIRIAL_TEMPS 300.0
    &AVBMC
      AVBMC_ATOM 1
      AVBMC_RMAX 5.0
      AVBMC_RMIN 1.0
      PBIAS 0.5
    &END AVBMC
    &MAX_DISPLACEMENTS
      &BOX_DISPLACEMENTS
        RMVOLUME 500.0
      &END BOX_DISPLACEMENTS
      &MOL_DISPLACEMENTS
        RMANGLE 3.0
        RMBOND 0.074
        RMDIHEDRAL 3.0
        RMROT 26.0
        RMTRANS 0.38
      &END MOL_DISPLACEMENTS
    &END MAX_DISPLACEMENTS
    &MOVE_PROBABILITIES
      PMAVBMC 0.0
      PMHMC 0.0
      PMSWAP 0.0
      PMTRAION 0.20
      PMTRANS 0.75
      PMVOLUME 0.0
      &BOX_PROBABILITIES
        PMHMC_BOX 1.0
        PMVOL_BOX 1.0
      &END BOX_PROBABILITIES
      &MOL_PROBABILITIES
        PMAVBMC_MOL 1.0
        PMROT_MOL 1.0
        PMSWAP_MOL 1.0
        PMTRAION_MOL 1.0
        PMTRANS_MOL 1.0
      &END MOL_PROBABILITIES
    &END MOVE_PROBABILITIES
    &MOVE_UPDATES
      IUPTRANS 100
      IUPVOLUME 100
    &END MOVE_UPDATES
  &END MC
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      &BEND
        ATOMS H O H
        K 0.0
        THETA0 1.82422
      &END BEND
      &BOND
        ATOMS O H
        K 0.0
        R0 1.844
      &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 5.480
          SIGMA 3.1655
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS O H
          EPSILON 0.0
          RCUT 5.480
          SIGMA 3.1655
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS H H
          EPSILON 0.0
          RCUT 5.480
          SIGMA 3.1655
        &END LENNARD-JONES
      &END NONBONDED
      &SPLINE
        EMAX_SPLINE 1000000.0
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA 0.25
        EWALD_ACCURACY 1.0E-6
        EWALD_TYPE ewald
        GMAX 25
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 13.7151207699 13.7151207699 13.7151207699
    &END CELL
    &COORD
      O      11.667599837210      7.964352234664      0.059453614019
      H      10.873359634781      8.005423314626      0.665667823055
      H      11.364979095795      7.770411108906     -0.873716837951
      O       2.314161441602      5.011228167767      2.784706973673
      H       1.663128370368      5.686998340596      3.130381117447
      H       2.659721328394      5.306531429441      1.893985965664
      O      10.262864742466      5.548805003571     11.360725453725
      H      10.424041748648      4.666485986338     11.802918991113
      H       9.436479204754      5.494708086386     10.800225647804
      O       5.937092785694     12.752770338234      7.554822749656
      H       6.459679552548     12.731874699056      8.407152758147
      H       6.560379344025     12.890048310674      6.784973290144
      O       1.052476316752      3.192494253568      0.284763135867
      H       1.009686510209      3.892635795528      0.997483876183
      H       1.385134340137      3.601676794269     -0.564888471374
      O      11.621014134223      7.899470257763      6.835708666826
      H      10.723243819476      8.290315257093      7.038806299646
      H      12.107936378358      8.496446358905      6.198114886544
      O       3.255054397643      5.532098285916     13.500752220167
      H       3.169785700155      4.860242146843     12.764995074351
      H       3.889107504717      6.253294143532     13.221731148935
    &END COORD
    &TOPOLOGY
      CONNECTIVITY MOL_SET
      &MOL_SET
        &MOLECULE
          CONN_FILE_NAME topology_atoms_WAT.psf
          NMOL 7
        &END MOLECULE
      &END MOL_SET
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL