&FORCE_EVAL
  METHOD QMMM
  &DFT
    BASIS_SET_FILE_NAME ../BASIS_SET
    POTENTIAL_FILE_NAME ../POTENTIAL
    &MGRID
      COMMENSURATE
      CUTOFF 50
    &END MGRID
    &POISSON
      PERIODIC NONE
      POISSON_SOLVER MT
      &MT
        ALPHA 7.0
        REL_CUTOFF 1.0
      &END MT
    &END POISSON
    &QS
      EPS_DEFAULT 1.0E-10
    &END QS
    &SCF
      SCF_GUESS atomic
    &END SCF
    &XC
      &XC_FUNCTIONAL BLYP
      &END XC_FUNCTIONAL
      &XC_GRID
        XC_DERIV SPLINE2_smooth
        XC_SMOOTH_RHO NN10
      &END XC_GRID
    &END XC
  &END DFT
  &MM
    &FORCEFIELD
      parm_file_name ../sample_pot/2H2O.pot
      parmtype CHM
      &spline
       rcut_nb 5.2917720830
      &end
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        ALPHA .44
        GMAX 64
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &QMMM
    MM_POTENTIAL_FILE_NAME ../MM_POTENTIAL
    &CELL
      ABC 6.0 6.0 6.0
    &END CELL
    ECOUPL GAUSS
    &INTERPOLATOR
      EPS_R 1.0e-14
      EPS_X 1.0e-14
      MAXITER 100
    &END INTERPOLATOR
    &MM_KIND HW
      RADIUS 0.44
    &END MM_KIND
    &MM_KIND OW
      CORR_RADIUS 1.0583544166
      RADIUS 0.80
    &END MM_KIND
    &PRINT
      &MM_POTENTIAL SILENT
      &END MM_POTENTIAL
    &END PRINT
    &QM_KIND H
      MM_INDEX 2 3
    &END QM_KIND
    &QM_KIND O
      MM_INDEX 1
    &END QM_KIND
  #
  # QM_KINDS
  #
  #
  # MM_KINDS
  #
  #
  &END QMMM
  &SUBSYS
    &CELL
      ABC 20.00 20.00 20.00
    &END CELL
    &KIND H
      BASIS_SET DZVP-GTH-BLYP
      POTENTIAL GTH-BLYP-q1
    &END KIND
    &KIND O
      BASIS_SET DZVP-GTH-BLYP
      POTENTIAL GTH-BLYP-q6
    &END KIND
    &TOPOLOGY
      CONN_FILE_NAME ../sample_psf/2H2O.psf
      CONNECTIVITY UPSF
      COORD_FILE_NAME ../sample_pdb/2H2O.pdb
      COORDINATE pdb
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT H2O-qmmm-gauss-11
  RUN_TYPE GEO_OPT
&END GLOBAL
&MOTION
  &GEO_OPT
    MAX_ITER 1
    OPTIMIZER BFGS
  &END GEO_OPT
&END MOTION
