From owner-chemistry@ccl.net Sat Nov 12 13:13:00 2005
From: "Marcelo Zaldini zaldini*_*ufpe.br" <owner-chemistry%%server.ccl.net>
To: CCL
Subject: CCL: Soft for adding (solvent) molecules around some other system
Message-Id: <-29953-051112093040-11046-0pRNtpmVmiiEIaAkZNSlPw%%server.ccl.net>
X-Original-From: "Marcelo Zaldini" <zaldini+/-ufpe.br>
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Date: Sat, 12 Nov 2005 10:32:53 -0200
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Sent to CCL by: "Marcelo Zaldini" [zaldini[a]ufpe.br]
Dear Evgeniy

You can take a look at:
http://www.ufpe.br/farmacia/zaldini/agoa.html

Regards.
Marcelo.

> On Fri, 11 Nov 2005, Evgeniy Gromov 
> Evgeniy.Gromov|,|tc.pci.uni-heidelberg.de wrote:
>
>> Sent to CCL by: Evgeniy Gromov [Evgeniy.Gromov()tc.pci.uni-heidelberg.de]
>> Dear All,
>>
>> Does someone know a soft which allows one to simulate
>> solvent by explicitly setting up (coordinates of) certain
>> number of solvent molecules (e.q. water molecules) surrounding
>> a solute system. For instance I'd like to add say 10 water
>> molecules around some other system. Is it possible to
>> do this "automatically" using some soft?
>>
>> Thanks a lot,
>>
>> Evgeniy
>> --
>> _______________________________________
>> Dr. Evgeniy Gromov
>> Theoretische Chemie
>> Physikalisch-Chemisches Institut
>> Im Neuenheimer Feld 229
>> D-69120 Heidelberg
>> Germany
>>
>> Telefon: +49/(0)6221/545263
>> Fax: +49/(0)6221/545221
>> E-mail: evgeniy**tc.pci.uni-heidelberg.de
>> _______________________________________>
>
>
>
>