
&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      parm_file_name sample_pot/aala.pot
      parmtype CHM
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE SPME
        GMAX 20
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 20 20 20
    &END CELL
    &TOPOLOGY
      CHARGE_BETA
      COORD_FILE_NAME sample_pdb/aala.pdb
      COORDINATE PDB
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PRINT_LEVEL LOW
  PROJECT aala
  RUN_TYPE GEO_OPT
&END GLOBAL
&MOTION
 &GEO_OPT
    OPTIMIZER CG
    MAX_ITER 500
 &END
&END
