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@SET RCUT_MY 2.0
@SET SPLINE_MY 0.50
@SET ALPHA_MY 0.35
@SET OPTIMIZER LBFGS # BFGS

&FORCE_EVAL
  METHOD Fist
  &MM
    &FORCEFIELD
      &CHARGE
        ATOM Na
        CHARGE +1.000
      &END CHARGE
      &CHARGE
        ATOM Cl
        CHARGE -1.000
      &END CHARGE
      &NONBONDED
        &BMHFT
          map_atoms NA NA
          atoms NA NA
          RCUT ${RCUT_MY}
        &END BMHFT
        &BMHFT
          map_atoms NA CL
          atoms NA CL
          RCUT ${RCUT_MY}
        &END BMHFT
        &BMHFT
          map_atoms CL CL
          atoms CL CL
          RCUT ${RCUT_MY}
        &END BMHFT
      &END NONBONDED
      &SPLINE
        EMAX_SPLINE ${SPLINE_MY}
      &END SPLINE
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        ALPHA ${ALPHA_MY}
        GMAX 12
        O_SPLINE 6
      &END EWALD
      PERIODIC XYZ
      POISSON_SOLVER PERIODIC
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 12*5.620 12*5.620 12*5.620
      MULTIPLE_UNIT_CELL 1 1 1
    &END CELL
    &TOPOLOGY
      #&CNETER_COORDINATES .TRUE.
      #&END
      COORD_FILE_NAME NaCl27.pdb
      COORDINATE PDB
      CONN_FILE_FORMAT OFF
      MULTIPLE_UNIT_CELL 1 1 1
    &END TOPOLOGY
    &PRINT
      &CELL
      &END CELL
      &TOPOLOGY_INFO
        XYZ_INFO .TRUE.
      &END TOPOLOGY_INFO
    &END PRINT
  &END SUBSYS
  &PROPERTIES
    &RESP
    &END RESP
  &END PROPERTIES
&END FORCE_EVAL

&GLOBAL
  PROJECT NaCl27_1
  RUN_TYPE GEO_OPT
  PRINT_LEVEL MEDIUM
&END GLOBAL

&MOTION
  &GEO_OPT
    OPTIMIZER ${OPTIMIZER}
  &END
  &CELL_OPT
    KEEP_ANGLES .TRUE.
    KEEP_SYMMETRY .TRUE.
  &END
&END MOTION

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