&FORCE_EVAL
  METHOD FIST
  &MM
    &FORCEFIELD
#####################################################
      &BOND
        ATOMS   C F
        KIND    CHARMM
        K       [kjmol*angstrom^-2] 1848.5
        R0      [angstrom] 1.323
      &END BOND
      &BOND
        ATOMS   C S
        KIND    CHARMM
        K       [kjmol*angstrom^-2] 985.
        R0      [angstrom] 1.818
      &END BOND
      &BOND
        ATOMS   S O
        KIND    CHARMM
        K       [kjmol*angstrom^-2] 2665.5
        R0      [angstrom] 1.442
      &END BOND
      &BOND
        ATOMS   S N
        KIND    CHARMM
        K       [kjmol*angstrom^-2] 1556.5
        R0      [angstrom] 1.570
      &END BOND
#####################################################
      &BEND
        ATOMS   F C F
        K       [kjmol*rad^-2] 390.5
        THETA0  [deg] 107.1
      &END BEND
      &BEND
        ATOMS   F C S
        K       [kjmol*rad^-2] 347.
        THETA0  [deg] 111.8
      &END BEND
      &BEND
        ATOMS   C S O
        K       [kjmol*rad^-2] 435.
        THETA0  [deg] 102.6
      &END BEND
      &BEND
        ATOMS   O S O
        K       [kjmol*rad^-2] 484.5
        THETA0  [deg] 118.5
      &END BEND
      &BEND
        ATOMS   S N S
        K       [kjmol*rad^-2] 335.5
        THETA0  [deg] 125.6
      &END BEND
      &BEND
        ATOMS   O S N
        K       [kjmol*rad^-2] 394.5
        THETA0  [deg] 113.6
      &END BEND
      &BEND
        ATOMS   N S C
        K       [kjmol*rad^-2] 408.
        THETA0  [deg] 100.2
      &END BEND
#####################################################
      &TORSION
        ATOMS   F C S O
        K       [kjmol] .725500
        PHI0    [deg] 0.00
        M         3
      &END TORSION
      &TORSION
        ATOMS   S N S O
        K       [kjmol] -0.0075
        PHI0    [deg] 0.00
        M         3
      &END TORSION
      &TORSION
        ATOMS   F C S N
        K       [kjmol] .661
        PHI0    [deg] 0.00
        M         3
      &END TORSION
      &TORSION
        ATOMS   S N S C
        K       [kjmol] 16.3865
        PHI0    [deg] 0.00
        M         1
      &END TORSION
      &TORSION
        ATOMS   S N S C
        K       [kjmol] -5.21
        PHI0    [deg] 180.00
        M         2
      &END TORSION
      &TORSION
        ATOMS   S N S C
        K       [kjmol] -1.5975
        PHI0    [deg] 0.00
        M         3
      &END TORSION
#####################################################
      &CHARGE
        ATOM F
        CHARGE -0.16
      &END CHARGE
      &CHARGE
        ATOM C
        CHARGE 0.35
      &END CHARGE
      &CHARGE
        ATOM S
        CHARGE 1.02
      &END CHARGE
      &CHARGE
        ATOM O
        CHARGE -0.53
      &END CHARGE
      &CHARGE
        ATOM N
        CHARGE -0.66
      &END CHARGE
#####################################################
      &NONBONDED
        &LENNARD-JONES
          ATOMS       F C
          EPSILON [kjmol] .98982054939266642808
          SIGMA   [angstrom]   3.225
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       F F
          EPSILON [kjmol] .88700000000000000000
          SIGMA   [angstrom]   2.95
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       C C 
          EPSILON  [kjmol] 1.10456000000000000000
          SIGMA    [angstrom]   3.50
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       F S
          EPSILON  [kjmol] 1.92644958407947961536
          SIGMA    [angstrom]   3.250
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       F O
          EPSILON  [kjmol] 1.76562020831208204652
          SIGMA    [angstrom]   2.955
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       C S
          EPSILON  [kjmol] 2.14976255433012880448
          SIGMA    [angstrom]   3.525
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       C O
          EPSILON  [kjmol] 1.97028992627988635308
          SIGMA    [angstrom]   3.230
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       S S
          EPSILON [kjmol] 4.18400000000000000000
          SIGMA    [angstrom]   3.55
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       S O
          EPSILON  [kjmol] 3.83469934153904691748
          SIGMA    [angstrom]   3.255
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       O O
          EPSILON  [kjmol] 3.51456000000000000000
          SIGMA    [angstrom]   2.96
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       N N
          EPSILON  [kjmol] 2.84512000000000000000
          SIGMA    [angstrom]   3.25
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       N C
          EPSILON  [kjmol] 1.77273961630014914040
          SIGMA    [angstrom]   3.375
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       N F
          EPSILON  [kjmol] 1.58859102351738095168
          SIGMA    [angstrom]   3.10
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       N S
          EPSILON  [kjmol] 3.45021478751685834808
          SIGMA    [angstrom]   3.40
          RCUT           9.0
        &END LENNARD-JONES
        &LENNARD-JONES
          ATOMS       N O
          EPSILON  [kjmol] 3.16217408553039660128
          SIGMA    [angstrom]   3.105
          RCUT           9.0
        &END LENNARD-JONES
      &END NONBONDED
#####################################################
    &END FORCEFIELD
    &POISSON
      &EWALD
        EWALD_TYPE spme
        ALPHA .44
        GMAX 24
        O_SPLINE 6
      &END EWALD
    &END POISSON
  &END MM
  &SUBSYS
    &CELL
      ABC 10.0 10.0 10.0
    &END CELL
    &TOPOLOGY
      COORDINATE XYZ
      COORD_FILE_NAME ../sample_xyz/TNF2.xyz
      CONNECTIVITY GENERATE
      &GENERATE
        CREATE_MOLECULES
        REORDER
      &END
      &DUMP_PDB
      &END
      &DUMP_PSF
      &END
    &END TOPOLOGY
  &END SUBSYS
&END FORCE_EVAL
&GLOBAL
  PROJECT TNF2
  RUN_TYPE GEO_OPT
  PRINT_LEVEL LOW
&END GLOBAL
&MOTION
  &MD
    ENSEMBLE NVE
    STEPS 10
    TIMESTEP 0.5
    TEMPERATURE 298
  &END MD
  &GEO_OPT
    MAX_ITER 1000
    MINIMIZER BFGS
  &END
&END MOTION
