CCL: Soft for adding (solvent) molecules around some other system

 Sent to CCL by: "Wayne Steinmetz" [WES04747++pomona.edu]
 SYBYL which is marketed by Tripos has a number of tools for solvating
 molecules.
 Wayne E. Steinmetz
 Carnegie Professor of Chemistry
 Woodbadge Course Director
 Chemistry Department
 Pomona College
 645 North College Avenue
 Claremont, California 91711-6338
 USA
 phone: 1-909-621-8447
 FAX: 1-909-707-7726
 Email: wsteinmetz%pomona.edu
 WWW: pages.pomona.edu/~wsteinmetz
 -----Original Message-----
 > From: owner-chemistry%ccl.net [mailto:owner-chemistry%ccl.net]
 Sent: Friday, November 11, 2005 9:21 AM
 To: Wayne Steinmetz
 Subject: CCL: Soft for adding (solvent) molecules around some other
 system
 Sent to CCL by: "Rafael R. Pappalardo" [rafapa]=[us.es]
 On Friday 11 November 2005 14:50, 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
 I have really good experiences with PACKMOL.
 http://www.ime.unicamp.br/~martinez/packmol/index.html
 Hope this help.
 Rafael
 --
 Dr. Rafael R. Pappalardo
 Physical Chemistry Dept., Univ. de Sevilla (Spain)
 e-mail: rafapa/./us.eshttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt-------------------------------------------------------------
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