&FORCE_EVAL
  METHOD QMMM
  &DFT
    BASIS_SET_FILE_NAME ../GTH_BASIS_SETS
    CHARGE -1
    MULTIPLICITY 1
    POTENTIAL_FILE_NAME ../POTENTIAL
    &MGRID
      CUTOFF 200
      COMMENSURATE
      NGRIDS 3
    &END MGRID
    &QS
      EPS_DEFAULT 1.0E-8
    &END QS
    &SCF
      SCF_GUESS ATOMIC
      MAX_SCF 3
      &OT ON
        PRECONDITIONER FULL_SINGLE
      &END OT
      &PRINT
         &RESTART OFF
         &END
      &END
    &END SCF
    &XC
      &XC_FUNCTIONAL PBE
      &END XC_FUNCTIONAL
      &XC_GRID
        XC_SMOOTH_RHO NN50
        XC_DERIV SPLINE2
      &END
    &END XC
  &END DFT
  &MM
    &FORCEFIELD
       PARM_FILE_NAME ../sample_pot/acn.pot
       PARMTYPE CHM
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE SPME
        ALPHA .44
        GMAX 32
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &QMMM
    MM_POTENTIAL_FILE_NAME ../MM_POTENTIAL
    &CELL
     ABC 5.0 5.0 5.0
     PERIODIC NONE
    &END CELL
    ECOUPL GAUSS
    NOCOMPATIBILITY
    CENTER SETUP_ONLY
    USE_GEEP_LIB 8
    &MM_KIND HC
      RADIUS 0.54
    &END MM_KIND
    &MM_KIND YC
      RADIUS 0.73
    &END MM_KIND
    &MM_KIND YN
      RADIUS 0.73
    &END MM_KIND
    &MM_KIND CT
      RADIUS 0.73
    &END MM_KIND
    &QM_KIND Cl
        MM_INDEX 7
    &END QM_KIND
    &PERIODIC
      GMAX 0.1
      &MULTIPOLE
       RCUT 30.0
       EWALD_PRECISION 0.000001
      &END
    &END
    &PRINT
      &PERIODIC_INFO
      &END
    &END
  &END QMMM
   &SUBSYS
    &CELL
      ABC 14. 14. 14.
    &END CELL
    &TOPOLOGY
      CHARGE_OCCUP
      CONNECTIVITY GENERATE
      &DUMP_PDB
      &END
      &DUMP_PSF
      &END
      MOL_CHECK
      COORD_FILE_NAME ../sample_pdb/solvated_system.pdb
      COORDINATE pdb
    &END TOPOLOGY
    &KIND Cl
      BASIS_SET TZV2P-GTH
      POTENTIAL GTH-PBE-q7
    &END KIND
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT acn-qmmm-re
  RUN_TYPE ENERGY
  IOLEVEL MEDIUM
&END GLOBAL
