&GLOBAL
  PREFERRED_FFT_LIBRARY FFTSG
  PRINT_LEVEL LOW
  PROJECT nacl_wat
  RUN_TYPE MD
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NVT
    STEPS 10
    TEMPERATURE 300
    TIMESTEP 0.5
    &THERMOSTAT
      &NOSE
        LENGTH 3
        MTS 2
        TIMECON 1000
        YOSHIDA 3
      &END NOSE
    &END THERMOSTAT
  &END MD
  &PRINT
    &TRAJECTORY OFF
    &END TRAJECTORY
    &VELOCITIES OFF
    &END VELOCITIES
  &END PRINT
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      PARMTYPE CHM
      PARM_FILE_NAME ../sample_pot/nacl_wat_again.pot
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .4
        EWALD_TYPE spme
        GMAX 60
      &END EWALD
    &END POISSON
  &END MM
  &RESCALE_FORCES
    MAX_FORCE 0.05
  &END RESCALE_FORCES
  &SUBSYS
    &CELL
      ABC 30.0222460 30.5110950 30.2224290
    &END CELL
    &PRINT
      &TOPOLOGY_INFO
        GENERATE_INFO
      &END TOPOLOGY_INFO
    &END PRINT
    &TOPOLOGY
      CHARGE_EXTENDED
      CONNECTIVITY GENERATE
      COORDINATE PDB
      COORD_FILE_NAME ../sample_pdb/nacl_wat_again.pdb
      &GENERATE
        BONDLENGTH_MAX 7.0
        CREATE_MOLECULES
        &ISOLATED_ATOMS
          LIST 1 2 3 4 5 6 7 8 9 10
          LIST 11 12 13 14 15 16 17 18 19 20
        &END ISOLATED_ATOMS
      &END GENERATE
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
