BONDS
!
!V(bond) = Kb(b - b0)**2
!
!Kb: kcal/mole/A**2
!b0: A
!
!atom type Kb          b0
!
!gold sulphur section 1

Au  S     198        2.531  
S   C     205        1.836
Au  Au    230        2.951
C   C     600        1.335

ANGLES
!
!V(angle) = Ktheta(Theta - Theta0)**2
!
!V(Urey-Bradley) = Kub(S - S0)**2
!
!Ktheta: kcal/mole/rad**2
!Theta0: degrees
!Kub: kcal/mole/A**2 (Urey-Bradley)
!S0: A
!
!atom types     Ktheta    Theta0   Kub     S0
!

!gold sulphur section 2

S   C   C       124.28    114 ! ALLOW   ALI SUL ION
Au  S   C       46.347    109 ! ALLOW   ALI SUL ION

DIHEDRALS
!
!V(dihedral) =Kchi (1 + cos(n(chi) - delta))
!
!Kchi : kcal/mole
!n: multiplicity
!delta: degrees
!
!atom types          Kchi   n    delta

S  C  C  C          0.31    2      180
Au S  C  C           .22    2      -19

NONBONDED nbxmod  5 atom cdiel shift vatom vdistance vswitch -
cutnb 14.0 ctofnb 12.0 ctonnb 10.0 eps 1.0 e14fac 1.0 wmin 1.5 
                !adm jr., 5/08/91, suggested cutoff scheme
!
!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6]
!
!epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j)
!Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j
!
!atom  ignored    epsilon      Rmin/2   ignored   eps,1-4       Rmin/2,1-4
!

Au     0.000000    -0.039     1.6465    0.000000   -0.039       1.6465
S      0.000000    -0.250     1.9935    0.000000   -0.250       1.9935
C      0.000000    -0.226     2.2055    0.000000   -0.226       2.2055 
H      0.000000    -0.046     0.2245    0.000000   -0.046       0.2245 
        
HBOND CUTHB 0.5  ! If you want to do hbond analysis (only), then use
                 ! READ PARAM APPEND CARD
                 ! to append hbond parameters from the file: par_hbond.inp
END