#CPQA DEPENDS he32_only.inp
&GLOBAL
  PRINT_LEVEL low
  PROJECT_NAME he32_only
  RUN_TYPE PINT
&END GLOBAL

&EXT_RESTART
  RESTART_COUNTERS
  RESTART_DEFAULT F
  RESTART_FILE_NAME he32_only-1.restart
  RESTART_HELIUM_PERMUTATION
  RESTART_HELIUM_POS
  RESTART_HELIUM_RNG
&END EXT_RESTART

&MOTION
  &PINT
    NUM_STEPS 5
    &HELIUM
      CELL_SHAPE OCTAHEDRON
      HELIUM_ONLY
      INOROT 200
      IROT 100
      NATOMS 32
      NBEADS 25
      NUM_ENV 2
      PERIODIC T
      POTENTIAL_FILE_NAME lj-test-pot.dat
      SAMPLING_METHOD CEPERLEY
      &CEPERLEY
        BISECTION 8
        MAX_PERM_CYCLE 4
      &END CEPERLEY
    &END HELIUM
  &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
