&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
      parm_file_name ../sample_pot/water.pot
      parmtype CHM
      &CHARGE
        ATOM OT
        CHARGE -0.8476
      &END CHARGE
      &CHARGE
        ATOM HT
        CHARGE 0.4238
      &END CHARGE
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        ALPHA .44
        GMAX 44
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 25.0 25.0 25.0
    &END CELL
    &TOPOLOGY
      COORD_FILE_NAME ../sample_xyz/water_2_TS.xyz
      COORDINATE xyz
      &DUMP_PSF
      &END
      &GENERATE
        CREATE_MOLECULES
      &END
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT water_2_TS_CG
  RUN_TYPE GEO_OPT
  #TRACE
&END GLOBAL
&MOTION
  &GEO_OPT
    TYPE TRANSITION_STATE
    MAX_ITER 20
    OPTIMIZER CG
    &CG
      MAX_STEEP_STEPS 0
      &LINE_SEARCH
        TYPE 2PNT
      &END
    &END
    &TRANSITION_STATE
      METHOD DIMER
      &DIMER
        DR 0.0001
        ANGLE_TOLERANCE [deg] 0.5
        INTERPOLATE_GRADIENT 
        &ROT_OPT
          OPTIMIZER CG
          MAX_ITER 1000
          &CG
            MAX_STEEP_STEPS 0
            &LINE_SEARCH
              TYPE 2PNT
            &END
          &END
          &PRINT
            &ROTATIONAL_INFO
              COORDINATES
            &END
          &END
        &END
      &END
    &END
  &END GEO_OPT
&END MOTION
