&GLOBAL
  PRINT_LEVEL LOW
  PROJECT pc-222
  RUN_TYPE MD
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NPT_I
    STEPS 10
    TEMPERATURE 300.0
    TIMESTEP 0.5
    &BAROSTAT
      PRESSURE 10000.
      TIMECON 200.
    &END BAROSTAT
    &THERMOSTAT
      REGION MOLECULE
      &NOSE
        LENGTH 3
        MTS 2
        TIMECON 200.
        YOSHIDA 3
      &END NOSE
    &END THERMOSTAT
  &END MD
  &PRINT
    &CELL
      &EACH
        MD 10
      &END EACH
    &END CELL
    &RESTART
      &EACH
        MD 100
      &END EACH
    &END RESTART
    &TRAJECTORY
      &EACH
        MD 10
      &END EACH
    &END TRAJECTORY
  &END PRINT
&END MOTION

&FORCE_EVAL
  METHOD FIST
  STRESS_TENSOR ANALYTICAL
  &MM
    &FORCEFIELD
      EI_SCALE14 0.8333333
      PARMTYPE AMBER
      PARM_FILE_NAME ../sample_top/pc.top
      SHIFT_CUTOFF .FALSE.
      VDW_SCALE14 0.5
      &SPLINE
        EMAX_SPLINE 1.0
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .36
        EWALD_TYPE SPME
        GMAX 64
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC [angstrom] 18.12 18.12 18.12
      MULTIPLE_UNIT_CELL 2 2 2
    &END CELL
    &TOPOLOGY
      CONNECTIVITY AMBER
      CONN_FILE_NAME ../sample_top/pc.top
      COORDINATE XYZ
      COORD_FILE_NAME ../sample_xyz/pc.xyz
      MULTIPLE_UNIT_CELL 2 2 2
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
