&GLOBAL
  PRINT_LEVEL low
  PROJECT_NAME water-in-helium-worm
  RUN_TYPE PINT
&END GLOBAL

&MOTION
  &PINT
    DT 0.5
    HARM_INT EXACT
    NRESPA 1
    NUM_STEPS 3
    P 4
    PROC_PER_REPLICA 1
    PROPAGATOR RPMD
    TEMP 7.5
    TRANSFORMATION NORMAL
    T_TOL 0.0
    &HELIUM
      CELL_SHAPE OCTAHEDRON
      COORD_INIT_TEMP -1
      DROPLET_RADIUS 20
      GET_FORCES LAST
      INOROT 80
      IROT 1000
      NATOMS 32
      NBEADS 16
      NUM_ENV 2
      PERIODIC F
      POTENTIAL_FILE_NAME lj-test-pot.dat
      SAMPLING_METHOD WORM
      SOLUTE_INTERACTION MWATER
      &WORM
        ALLOW_OPEN T
        CENTROID_DRMAX 0.2
        CENTROID_WEIGHT 5
        CRAWL_REPETITION 2
        CRAWL_WEIGHT 10
        HEAD_TAIL_WEIGHT 10
        OPEN_CLOSE_SCALE 100.0
        OPEN_CLOSE_WEIGHT 20
        SHOW_STATISTICS T
        STAGING_L 5
        STAGING_WEIGHT 10
        SWAP_WEIGHT 100
      &END WORM
    &END HELIUM
    &PILE
    &END PILE
  &END PINT
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      PARMTYPE CHM
      PARM_FILE_NAME ../../Fist/sample_pot/water.pot
      &CHARGE
        ATOM OT
        CHARGE -0.8476
      &END CHARGE
      &CHARGE
        ATOM HT
        CHARGE 0.4238
      &END CHARGE
    &END FORCEFIELD
    &POISSON
      &EWALD
        GMAX 25
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 8.0 8.0 8.0
      PERIODIC NONE
    &END CELL
    &TOPOLOGY
      COORD_FILE_FORMAT PDB
      COORD_FILE_NAME ../../Fist/sample_pdb/water_1.pdb
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
