&GLOBAL
  PROJECT_NAME               h2o_cmd_pile
  RUN_TYPE                   PINT
  PRINT_LEVEL                LOW
&END GLOBAL

&MOTION
  &PINT
    P                        10 
    PROC_PER_REPLICA         1
    NUM_STEPS                40
    DT                       0.5
    NRESPA                   2
    TEMP                    50.0
    TRANSFORMATION           NORMAL
    PROPAGATOR               CMD
    &NORMALMODE
       GAMMA                    8
    &END NORMALMODE
    &PILE
      TAU                      1000
      LAMBDA                   0.5
    &END PILE
  &END PINT
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &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
    &POISSON
      &EWALD
        EWALD_TYPE SPME
        ALPHA 0.44
        GMAX 24
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 24.955 24.955 24.955
    &END CELL
    &TOPOLOGY
      COORD_FILE_NAME ../../Fist/sample_pdb/water_1.pdb
      COORD_FILE_FORMAT PDB
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
