&GLOBAL
  PROJECT water_charge_no_array_pme
  RUN_TYPE md
&END GLOBAL

&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 100
    TEMPERATURE 298
    TIMESTEP 2.5
  &END MD
  &PRINT
    &RESTART
      &EACH
        MD 1
      &END EACH
    &END RESTART
  &END PRINT
&END MOTION

#CPQA DEPENDS water_charge_no_array_pme.inp
#CPQA TEST COMPARE-SCALAR water_charge_no_array_pme "POTENTIAL ENERGY" 3
&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      PARMTYPE CHM
      PARM_FILE_NAME ../sample_pot/water.pot
      &CHARGES
        -0.8476
        0.4238
        0.4238
      &END CHARGES
    &END FORCEFIELD
    &POISSON
      &EWALD
        ALPHA .44
        EWALD_TYPE pme
        NS_MAX 25
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 5. 5. 5.
    &END CELL
    &TOPOLOGY
      COORDINATE pdb
      COORD_FILE_NAME ../sample_pdb/water_1.pdb
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
