Good afternoon.
Well, I'll try to be as short in this message as possile, to not
take too much of your time. We was looking to develop some solvents
parameters here, and we are following the paper "Application of the RESP
Methodology in the Parametrization of Organic Solvents" (Fox, T. and
Kollman, P. A.; J. Phys. Chem. B 1998, 102, 8070-8079) for that. On the
other hand, we were trying to use the resp program together with gamess in
order to develop the charges, following the tips from the amber homepage
for the gamess' input options. The question is: using those options, the
esp grid will be created in the normal output file, or in another one?
Really thanks for anything, and apologizing myself for taking so
much of your time,
Sincerally yours,
Jones de Andrade
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* Jones de Andrade *
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* Theoretical Chemistry Group * Grupo de Quimica Teorica *
*
http://www.iq.ufrgs.br/theochem.html *
* Institute of Chemistry * Instituto de Quimica *
*
http://www.iq.ufrgs.br/ *
* Universidade Federal do Rio Grande do Sul *
*
http://www.ufrgs.br/ *
* Brasil *
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* E-mail:johannes_at_iq.ufrgs.br *
* ICQ UIN: 17929775 *
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* "We turn molecules into numbers, *
* and numbers into molecules..." *
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Received on Mon Jun 18 2001 - 10:22:11 PDT
