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
 _______________________________________>