Dear Sir/Madam:
I am now working on a modified guanine adduct which forms a five-member
ring at the linkage site between N1, N2 of guanine and C15, C10 of the
other molecule. (as in the following graph) And I am in the leap
stage. Except N1, the standard atom types of guanine are maintained as in
AMBER. But now the problem is that there is no parameter for bond N*-CA in
parm99.dat, neither are the angles and torsion angles around these two
atoms, such as angle CT-N*-CA, N*-CA-N2 and torsion angle CT-N*-CA-N2,
C-N*-CA-N2 and etc. Could you please give me some ideas on solving this
problem?
Thank you for your help in advance.
O6 R R
|| \ /
N7 C6(C) C14(CT)
// \ / \ / \ //
C5 N1(N*)_____C15(CT) C13(CA)
H8--C8 || | | |
C4 C2(CA) C10(CT) C12(CA)
\ / \ // \ / | \ / \\
N9 N3 N2(N2) R C11(C)
| | ||
H2 H21 O9(O)
Jie Lu
Received on Fri Oct 20 2000 - 11:25:28 PDT
