#CPQA DEPENDS silicon_cluster_2.inp

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      &NONBONDED
        &WILLIAMS
          atoms SI O
          A 208920748.3395
          B 4.87318
          C 1549614.30961
          RCUT 36.0
        &END WILLIAMS
        &WILLIAMS
          atoms SI H
          A 0.0
          B 0.0
          C 0.0
          RCUT 36.0
        &END WILLIAMS
        &WILLIAMS
          atoms SI SI
          A 0.0
          B 0.0
          C 0.0
          RCUT 36.0
        &END WILLIAMS
        &WILLIAMS
          atoms O H
          A 1350000.7166855
          B 3.24430
          C 1450.53575
          RCUT 36.0
        &END WILLIAMS
        &WILLIAMS
          atoms O O
          A 16115719.1363
          B 2.76000
          C 2030750.05696
          RCUT 36.0
        &END WILLIAMS
        &WILLIAMS
          atoms H H
          A 0.0
          B 0.0
          C 0.0
          RCUT 36.0
        &END WILLIAMS
      &END NONBONDED
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE ewald
        ALPHA .44
        GMAX 21
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 11.24 10.80 8.40
    &END CELL
    &TOPOLOGY
      CONN_FILE_NAME ../sample_psf/silicon_cluster.psf
      CONNECTIVITY UPSF
      COORD_FILE_NAME ../sample_pdb/silicon_cluster.pdb
      COORDINATE PDB
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PRINT_LEVEL MEDIUM

  PROJECT res_silica
  RUN_TYPE GEO_OPT
&END GLOBAL
&MOTION
  &GEO_OPT
    MAX_ITER 2
    OPTIMIZER BFGS
  &END GEO_OPT
  &PRINT
    &RESTART
      &EACH
        GEO_OPT 1
      &END
    &END
  &END
&END MOTION
&EXT_RESTART
 RESTART_FILE_NAME res_silica-1.restart
&END
