!=============================================================
!
! Parameter file generated by the Force Field ToolKit (ffTK)
!
! For additional information, see:
! http://www.ks.uiuc.edu/Research/vmd/plugins/fftk
! http://www.ks.uiuc.edu/Research/fftk
!
! Authors:
! Christopher G. Mayne
! Beckman Institute for Advanced Science and Technology
! University of Illinois, Urbana-Champaign
! http://www.ks.uiuc.edu/~mayne
! mayne@ks.uiuc.edu
!
! James C. Gumbart
! Georgia Institute of Technology
! http://simbac.gatech.edu
! gumbart_physics.gatech.edu
!
! If you use parameters developed using ffTK, please cite:
! C.G. Mayne, J. Saam, K. Schulten, E. Tajkhorshid, J.C. Gumbart. J. Comput. Chem. 2013, 34, 2757-2770.
!
!=============================================================

BONDS
!V(bond) = Kb(b - b0)**2
!
!Kb: kcal/mole/A**2
!b0: A
!
!atom type Kb b0
!
CG331  HGA3   0.000      0.000    
CG331  CG321  0.000      0.000    
CG321  HGA2   0.000      0.000    
CG321  OG311  0.000      0.000    
OG311  HGP1   0.000      0.000    

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
!
!
CG331  CG321  OG311  0.000    0.000       
CG331  CG321  HGA2   0.000    0.000       
HGA3   CG331  CG321  0.000    0.000       
HGA3   CG331  HGA3   0.000    0.000       
CG321  OG311  HGP1   0.000    0.000       
HGA2   CG321  OG311  0.000    0.000       
HGA2   CG321  HGA2   0.000    0.000       

DIHEDRALS
!
!V(dihedral) = Kchi(1 + cos(n(chi) - delta))
!
!Kchi: kcal/mole
!n: multiplicity
!delta: degrees
!
!atom types             Kchi    n   delta
!
CG331  CG321  OG311  HGP1   0.0000   1  0.00   
HGA3   CG331  CG321  HGA2   0.0000   1  0.00   
HGA3   CG331  CG321  OG311  0.0000   1  0.00   
HGA2   CG321  OG311  HGP1   0.0000   1  0.00   

IMPROPER
!
!V(improper) = Kpsi(psi - psi0)**2
!
!Kpsi: kcal/mole/rad**2
!psi0: degrees
!note that the second column of numbers (0) is ignored
!
!atom types           Kpsi                   psi0
!

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 
!
!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
!
CG321  0.0  -0.056000  2.010000  0.0  -0.010000  1.900000  
CG331  0.0  -0.078000  2.050000  0.0  -0.010000  1.900000  
HGA2   0.0  -0.035000  1.340000      
HGA3   0.0  -0.024000  1.340000      
HGP1   0.0  -0.046000  0.224500      
OG311  0.0  -0.192100  1.765000      

END