Subject: Electrostatic potential derived charges

From: Pirard Bernard B <[email-masked]>
Date: Tue, 30 Sep 1997 21:16:57 +0100

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Dear colleagues, 
I am currently looking for references dealing with 
STO-3G electrostatic potential derived (EPD) charges 
computed for drug-like molecules or for fragments found
in drug-like molecules. The rationale for STO-3G EPD
charges is as follows : they are to be used in 
AMBER 4.0.1 computations, as available through TRIPOS
 Force Field  Engine. I will post a summary of the replies.
Thanks in advance, 

Bernard Pirard, PhD
Computational Chemistry Group
ZENECA AGROCHEMICALS
Jealott's Hill Research Station
Bracknell Berks RG42 6EY
UK