&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      parm_file_name ../sample_pot/multi_frag_pot/full.pot
      parmtype CHM
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        ALPHA .44
        GMAX 36
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 38.2908000  37.8868000  38.0118000
    &END CELL
    &TOPOLOGY
      COORD_FILE_NAME ../sample_pdb/multi_frag.pdb
      COORDINATE pdb
      CONNECTIVITY MOL_SET
      &MOL_SET
        &MOLECULE
          NMOL 1
          CONN_FILE_NAME ../sample_psf/multi_frag_psf/ace.psf
        &END
        &MOLECULE
          NMOL 1
          CONN_FILE_NAME ../sample_psf/multi_frag_psf/ala.psf
        &END
        &MOLECULE
          NMOL 1
          CONN_FILE_NAME ../sample_psf/multi_frag_psf/gly.psf
        &END
        &MOLECULE
          NMOL 1
          CONN_FILE_NAME ../sample_psf/multi_frag_psf/nme.psf
        &END
        &MOLECULE
          NMOL 554
          CONN_FILE_NAME ../sample_psf/multi_frag_psf/meoh.psf
        &END
        &MERGE_MOLECULES
          &BONDS
          # BONDS between ACE-ALA-GLY-NME
         5         7
        15        17
        22        24
          &END
          &ANGLES
         5         7         8
        15        17        18
        22        24        25
         6         5         7
         5         7         9
         2         5         7
        16        15        17
        15        17        19
         9        15        17
        23        22        24
        22        24        26
        19        22        24
          &END
          &TORSIONS
         6         5         7         8
         5         7         9        10
         4         2         5         7
         3         2         5         7
         2         5         7         8
         1         2         5         7
        16        15        17        18
        15        17        19        20
        15        17        19        21
        10         9        15        17
         9        15        17        18
        23        22        24        25
        22        24        26        27
        22        24        26        28
        22        24        26        29
        21        19        22        24
        20        19        22        24
        19        22        24        25
         5         9         7         8
        15        19        17        18
        22        26        24        25
         6         5         7         9
         5         7         9        11
         5         7         9        15
         2         5         7         9
        16        15        17        19
        15        17        19        22
        11         9        15        17
         9        15        17        19
         7         9        15        17
        23        22        24        26
        19        22        24        26
        17        19        22        24
         2         7         5         6
         9        17        15        16
        19        24        22        23
          &END
        &END
      &END
    &END TOPOLOGY
    &PRINT
      &TOPOLOGY_INFO
         PSF_INFO
      &END
    &END
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT multi_frag
  RUN_TYPE MD
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 10
    TIMESTEP 0.5
    TEMPERATURE 298
  &END MD
&END MOTION
