AMBER Archive (2000)

Subject: resp fit

From: Cui Guanglei (cuigl_at_morita.chem.sunysb.edu)
Date: Thu Apr 13 2000 - 10:24:53 CDT


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