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

 Sent to CCL by: "Jim Kress" [ccl_nospam-,-kressworks.com]
 Gromacs provides a utility to do this.  It adds the solvent molecules in an
 physically/ chemically intelligent way as opposed to some programs that just
 stuff them around the solute.  I'd highly recommend it.
 http://www.gromacs.org
 Jim
 > -----Original Message-----
 > From: Marcelo Zaldini zaldini*_*ufpe.br
 > [mailto:owner-chemistry[A]ccl.net]
 > Sent: Saturday, November 12, 2005 1:23 PM
 > To: Kress, Jim
 > Subject: CCL: Soft for adding (solvent) molecules around some
 > other system
 >
 > 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
 > >> _______________________________________>
 > >
 > >
 > >
 > >
 >
 >
 >
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