resp fit

From: Cui Guanglei <>
Date: Thu 13 Apr 2000 11:24:53 -0400

Dear Amber user,
    I am trying to use resp to derive charges for some nucleoside
derivative. There are several things I'm not so sure. First one is that
I don't quite understand that `ivary' in RESP manual. What is that used
for? I couldn't find it in the original paper (Piotr Cieplak, et. al.,
J. Comp. Chem., Vol. 16, No. 11, 1357-1377, 1995). Also, from this
paper, it looks to me that we should do the charge fitting of nucleoside
and DMP together. Is this true? Could anyone tell me where I can find
the structure of DMP? Thanks a lot.

Guanglei Cui
State University of New York
Department of Chemistry
Stony Brook, 11794-3400
Received on Thu Apr 13 2000 - 08:24:53 PDT
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