&FORCE_EVAL
  METHOD QMMM
  &DFT
    &QS
      METHOD AM1
      &SE
      &END SE
    &END QS
    &SCF
      SCF_GUESS ATOMIC
    &END SCF
  &END DFT
  &QMMM
    CENTER SETUP_ONLY
    &CELL
      ABC 6.0 6.0 6.0
    &END CELL
    ECOUPL NONE
    &QM_KIND H
      MM_INDEX 2 3 4
    &END QM_KIND
    &QM_KIND N
      MM_INDEX 1
    &END QM_KIND
  &END
  &MM
    &FORCEFIELD
      parm_file_name ../../../Fist/sample_pot/nh3.pot
      parmtype CHM
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        ALPHA .44
        GMAX 30
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
    &END CELL
    &TOPOLOGY
      COORD_FILE_NAME ../sample_pdb/NH3.pdb
      COORDINATE pdb
      CONNECTIVITY MOL_SET
      &MOL_SET
        &MOLECULE
          NMOL 2
          CONN_FILE_NAME ../../../Fist/sample_psf/nh3.psf
          CONNECTIVITY UPSF
        &END
      &END
    &END TOPOLOGY
    &PRINT
      &MOLECULES
      &END
    &END
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT nh3_g4x6_excl_qm
  RUN_TYPE md
  PRINT_LEVEL LOW
&END GLOBAL
&MOTION
  &CONSTRAINT
    CONSTRAINT_INIT T
    &G4X6
      DISTANCES 1.9275 1.9275 1.9275 3.1483 3.1483 3.1483
      MOLNAME MOL01
      ATOMS 1 2 3 4
      EXCLUDE_QM
    &END G4X6
  &END CONSTRAINT
  &MD
    ENSEMBLE NVE
    STEPS 20
    TIMESTEP 0.5
    TEMPERATURE 298
  &END MD
&END MOTION
