Subject: Charmm atomic charges, where to find them?

From: "Andrey Bliznyuk" <[email-masked]>
Date: Mon, 30 Oct 1995 10:27:03

Dear Netters,

I would like to obtain atomic charges from CHARMM force field to
do some calculations of solvation energies. Unfortunately,
in original publication (Brooks, 1983) charges are not listed.
Does somebody have any ideas how to obtain them (is it possible?)?
I don't need the program or anything else - only atomic charges.

Thanks,

Dr. Andrey Bliznyuk
Computational Molecular Biology and Drug Design Group
Division of Molecular Biology and Biochemistry
J. Curtin School of Medical Research
Australian National University
Canberra, ACT 0200, Australia