#CPQA DEPENDS deca_ala4.inp

&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      parm_file_name ../sample_pot/deca_ala.pot
      parmtype CHM
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE ewald
        ALPHA .36
        GMAX 29
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      CELL_FILE_NAME deca_ala4-1.cell
      CELL_FILE_FORMAT CP2K
    &END CELL
    &TOPOLOGY
      CHARGE_BETA
      COORD_FILE_NAME ../sample_pdb/deca_ala.pdb
      COORDINATE PDB
      PARA_RES
    &END TOPOLOGY
    &PRINT
      &CELL
      &END
    &END
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PRINT_LEVEL LOW
  PROJECT deca_ala_ext_cell
  RUN_TYPE md
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 11
    TIMESTEP 0.5
    TEMPERATURE 450.0
  &END MD
  &PRINT
  &END
&END MOTION
