*>>>>>>>   AMBER FF Converted into CHARMM FF style                      <<<<<<<
*>>>>>>>   Generated on :: 20041205 232934.884 +0100 by :: teo          <<<<<<<
*>>>>>>>   Teddy                                                        <<<<<<<
*>>>>>>>   Leap Title :: H2PO                                           <<<<<<<
*>>>>>>>   Send all comments related to the FFs conversion to           <<<<<<<
*>>>>>>>   teodoro.laino@gmail.com                                      <<<<<<<

BONDS
!
!V(bond) = Kb(b - b0)**2
!
!Kb: kcal/mole/A**2
!b0: A
!
!atom type Kb          b0
!
HC   CT     340.0    1.109
CT   YC     400.0    1.458
YC   YN     600.0    1.150
I1   I2      1254.62 1.164612527
I2   I3      1254.62 1.164612527

 
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
!
CT   YC   YN      80.0    180.0 
HC   CT   YC      35.0    110.0 
HC   CT   HC      35.0    109.5 
I1   I2   I3      27.721 108.8
 
DIHEDRALS
!
!V(dihedral) = Kchi(1 + cos(n(chi) - delta))
!
!Kchi: kcal/mole
!n: multiplicity
!delta: degrees
!
!atom types             Kchi    n   delta
!
YN YC CT HC 0.0 1 0.0
 
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
!
!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
!
YC     0.0 0.0860   1.908
YN     0.0 0.1700   1.824 
CT     0.0 0.1094   1.908
HC     0.0 0.0220   1.487
I1     0.0 0.4184   2.583
I2     0.0 0.4184   2.583
I3     0.0 0.4184   2.583
 
END

