1*>>>>>>>   AMBER FF Converted into CHARMM FF style                      <<<<<<<
2*>>>>>>>   Generated on :: 20050913 223704.077 +0200 by :: teo          <<<<<<<
3*>>>>>>>   somazzo                                                      <<<<<<<
4*>>>>>>>   Leap Title ::                                                <<<<<<<
5*>>>>>>>   Send all comments related to the FFs conversion to           <<<<<<<
6*>>>>>>>   teodoro.laino@gmail.com                                      <<<<<<<
7
8BONDS
9!
10!V(bond) = Kb(b - b0)**2
11!
12!Kb: kcal/mole/A**2
13!b0: A
14!
15!atom type Kb          b0
16!
17HW   OW     553.000000000    0.957200000
18HW   HW     553.000000000    1.513600000
19
20ANGLES
21!
22!V(angle) = Ktheta(Theta - Theta0)**2
23!
24!V(Urey-Bradley) = Kub(S - S0)**2
25!
26!Ktheta: kcal/mole/rad**2
27!Theta0: degrees
28!Kub: kcal/mole/A**2 (Urey-Bradley)
29!S0: A
30!
31!atom types     Ktheta    Theta0   Kub     S0
32!
33
34DIHEDRALS
35!
36!V(dihedral) = Kchi(1 + cos(n(chi) - delta))
37!
38!Kchi: kcal/mole
39!n: multiplicity
40!delta: degrees
41!
42!atom types             Kchi    n   delta
43!
44
45IMPROPER
46!
47!V(improper) = Kpsi(psi - psi0)**2
48!
49!Kpsi: kcal/mole/rad**2
50!psi0: degrees
51!note that the second column of numbers (0) is ignored
52!
53!atom types           Kpsi                   psi0
54!
55
56NONBONDED
57!
58!V(Lennard-Jones) = Eps,i,j[(Rmin,i,j/ri,j)**12 - 2(Rmin,i,j/ri,j)**6]
59!
60!epsilon: kcal/mole, Eps,i,j = sqrt(eps,i * eps,j)
61!Rmin/2: A, Rmin,i,j = Rmin/2,i + Rmin/2,j
62!
63!atom  ignored    epsilon      Rmin/2   ignored   eps,1-4       Rmin/2,1-4
64!
65IP       0.000000000    0.002770000    1.867999999
66IM       0.000000000    0.100000000    2.469999999
67OW       0.000000000    0.152000000    1.768300000
68HW       0.000000000    0.000000000    0.000000000
69
70END
71
72!
73! This Section can be cutted & pasted into the Fist input file..
74!
75CHARGES
76IP       1.000000000
77IM      -1.000000000
78OW      -0.834000000
79HW       0.417000000
80END CHARGES
81