[gmx-users] Software for ESP fitting

David van der Spoel spoel at xray.bmc.uu.se
Mon Sep 8 11:53:03 CEST 2008

Vasilii Artyukhov wrote:
> Hi gmx-users,
> Sorry for a not-strictly-GROMACS-related question, but could someone 
> suggest a program I could use to fit atomic charges to quantum chemistry 
> results?

> Thanks in advance,
> Vasilii
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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