*>>>>>>>   AMBER FF Converted into CHARMM FF style                      <<<<<<<
*>>>>>>>   Generated on :: 20060602 210908.077 +0200 by :: teo          <<<<<<<
*>>>>>>>   pcihpc07                                                     <<<<<<<
*>>>>>>>   Leap Title :: MOL                                            <<<<<<<
*>>>>>>>   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
!
C    CT     317.000000000    1.522000000
N    H      434.000000000    1.010000000
C    O      570.000000000    1.229000000
C    N      490.000000000    1.335000000
 
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
!
C    N    H       50.000000000  120.000051429
O    C    CT      80.000000000  120.400051601
CT   C    N       70.000000000  116.600049972
H    N    H       35.000000000  120.000051429
O    C    N       80.000000000  122.900052672
 
DIHEDRALS
!
!V(dihedral) = Kchi(1 + cos(n(chi) - delta))
!
!Kchi: kcal/mole
!n: multiplicity
!delta: degrees
!
!atom types             Kchi    n   delta
!
O    C    N    H        2.000000000    1    0.000000000
O    C    N    H        2.500000000    2  180.000077144
CT   C    N    H        2.500000000    2  180.000077144
O    C    N    CT      10.500000000    2  180.000077144
C    H    N    H        1.000000000    2  180.000077144
 
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
!
C        0.000000000    0.086000000    1.908000000
O        0.000000000    0.210000000    1.661200000
CT       0.000000000    0.109400000    1.908000000
N        0.000000000    0.170000000    1.824000000
H        0.000000000    0.015700000    0.600000000
 
END

!
! This Section can be cutted & pasted into the Fist input file..
!
CHARGES
C        1.000000000
O       -1.000000000
CT       1.000000000
N       -3.000000000
H        1.000000000
END CHARGES