&GLOBAL
  PRINT_LEVEL LOW
  PROJECT wat125_Tanneal
  RUN_TYPE MD
&END GLOBAL

&EXT_RESTART
  RESTART_FILE_NAME wat125_Tanneal-1.restart
  RESTART_TEMPERATURE_ANNEALING T
&END EXT_RESTART

&MOTION
  &MD
    ENSEMBLE LANGEVIN
    STEPS 10
    TEMPERATURE 298
    TEMPERATURE_ANNEALING 1.10
    TIMESTEP 1.0
    &LANGEVIN
      GAMMA 0.1
    &END LANGEVIN
    &PRINT
      &PROGRAM_RUN_INFO
        ADD_LAST SYMBOLIC
        &EACH
          MD 1000
        &END EACH
      &END PROGRAM_RUN_INFO
    &END PRINT
  &END MD
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      PARMTYPE CHM
      PARM_FILE_NAME ../sample_pot/wat125.pot
      &CHARGE
        ATOM 62
        CHARGE -0.8476
      &END CHARGE
      &CHARGE
        ATOM 3
        CHARGE 0.4238
      &END CHARGE
      &SPLINE
        EMAX_SPLINE 1.0
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .44
        EWALD_TYPE spme
        GMAX 30
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    SEED 1 2 3 4 5 6
    &CELL
      ABC 15.0 15.0 15.0
    &END CELL
    &KIND 62
      ELEMENT O
    &END KIND
    &KIND 3
      ELEMENT H
    &END KIND
    &TOPOLOGY
      CONNECTIVITY PSF
      CONN_FILE_NAME ../sample_psf/wat125.psf
      COORDINATE XYZ
      COORD_FILE_NAME ../sample_xyz/wat125.xyz
      &DUMP_PDB
      &END DUMP_PDB
      &DUMP_PSF
      &END DUMP_PSF
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
