&GLOBAL
  PROJECT H2O-fixd-rest-2
  RUN_TYPE md
&END GLOBAL

&EXT_RESTART
  RESTART_FILE_NAME H2O-fixd-rest-1.restart
&END EXT_RESTART

&MOTION
  &CONSTRAINT
    &FIXED_ATOMS
      LIST 1 2 3
      &RESTRAINT
        K [kcalmol*angstrom^-2] 100.0
      &END RESTRAINT
    &END FIXED_ATOMS
  &END CONSTRAINT
  &MD
    ENSEMBLE NVE
    STEPS 10
    TEMPERATURE 298
    TIMESTEP 0.5
  &END MD
&END MOTION

#CPQA DEPENDS H2O-fixd-rest.inp
&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      PARMTYPE CHM
      PARM_FILE_NAME ../sample_pot/water.pot
      &CHARGE
        ATOM OT
        CHARGE -0.8476
      &END CHARGE
      &CHARGE
        ATOM HT
        CHARGE 0.4238
      &END CHARGE
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .44
        EWALD_TYPE spme
        GMAX 24
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 24.955 24.955 24.955
    &END CELL
    &TOPOLOGY
      COORDINATE pdb
      COORD_FILE_NAME ../sample_pdb/water_1.pdb
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
