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Date: Thu, 17 Apr 2003 16:00:22 +0000 (UTC)
From: Mirco Meniconi <mirco: at :unipg.it>
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To: chemistry {*at*} ccl.net
Subject: MM3 model for water
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Dear CCLers,
I'm tryng to calculate the interaction energy beetwen a water molecule and
a very large molecule, in each point of SAS, with MM3 force field.
In order to minimize calculation time I need to treat the water molecule
as a single atom.
Does anybody knowm some water parametrization that I can use with MM3 FF?

thank'you


--

Mirco Meniconi
PhD candidate
dip. chimica e tecnologia del farmaco
via del liceo 1 06100 Perugia
university of Perugia (ITALY)
phone: +39 075 585 5169
phone: +39 075 585 5114
e-mail: mirco.me#* at *#inwind.it
e-mail: mirco:~at~:unipg.it

Prima ti ignorano. Poi ridono di te.
Poi ti combattono. Poi tu vinci.