&GLOBAL
  PRINT_LEVEL LOW
  PROJECT_NAME h2o_pint_constraints_exact
  RUN_TYPE PINT
&END GLOBAL

&MOTION
  &CONSTRAINT
    &COLLECTIVE
      COLVAR 1
      INTERMOLECULAR
    &END COLLECTIVE
    &LAGRANGE_MULTIPLIERS
      COMMON_ITERATION_LEVELS 1
    &END LAGRANGE_MULTIPLIERS
  &END CONSTRAINT
  &PINT
    DT 0.5
    HARM_INT EXACT
    NRESPA 2  #produces an intended warning.
    NUM_STEPS 4
    P 4
    PROC_PER_REPLICA 1
    TEMP 50.0
    TRANSFORMATION NORMAL
  &END PINT
&END MOTION

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      PARMTYPE CHM
      PARM_FILE_NAME ../../Fist/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 0.44
        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
    &COLVAR
      &DISTANCE
        ATOMS 1 2
      &END DISTANCE
    &END COLVAR
    &TOPOLOGY
      COORD_FILE_FORMAT PDB
      COORD_FILE_NAME ../../Fist/sample_pdb/water_1.pdb
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
