&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      parm_file_name ../amber/mol.pot
      parmtype CHM
      &SPLINE
        EMAX_ACCURACY 500.0
        EMAX_SPLINE  1.0E10
        EPS_SPLINE 1.0E-3
        R0_NB [bohr] 0.0001
        RCUT_NB  20.0
      &END
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE ewald
        ALPHA .36
        GMAX 29
      &END EWALD
    &END POISSON
    &PRINT
      &FF_INFO
        SPLINE_INFO
      &END
    &END
  &END MM
  &SUBSYS
    &CELL
      ABC 30.0 30.0 30.0
    &END CELL
    &TOPOLOGY
      CHARGE_BETA
      COORD_FILE_NAME ../amber/mol.pdb
      COORDINATE PDB
      CONNECTIVITY UPSF
      CONN_FILE_NAME  ../amber/mol.psf
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT 2gly_DIIS-SD-NEB
  PRINT_LEVEL LOW
  RUN_TYPE BAND
&END GLOBAL
&MOTION
  &PRINT
    &VELOCITIES OFF
    &END
  &END
  &BAND
    NPROC_REP 1
    BAND_TYPE IT-NEB
    NUMBER_OF_REPLICA 5
    K_SPRING 0.05
    &CONVERGENCE_CONTROL
      #MAX_DR 0.01
      MAX_FORCE 0.001
      #RMS_DR 0.02
      RMS_FORCE 0.0005
    &END
    ROTATE_FRAMES F
    &OPTIMIZE_BAND
      &DIIS
       MAX_STEPS 12
       MAX_SD_STEPS 10
      &END
    &END
    &REPLICA
      COORD_FILE_NAME  ../amber/MOL.0.xyz
    &END
    &REPLICA
      COORD_FILE_NAME  ../amber/MOL.1.xyz
    &END
    &REPLICA
      COORD_FILE_NAME  ../amber/MOL.2.xyz
    &END
    &REPLICA
      COORD_FILE_NAME  ../amber/MOL.3.xyz
    &END
    &REPLICA
      COORD_FILE_NAME  ../amber/MOL.4.xyz
    &END
    &PROGRAM_RUN_INFO
    &END
    &CONVERGENCE_INFO
    &END
  &END BAND
&END MOTION
