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

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

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