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



 Sent to CCL by: David Santos Carballal [david---fq.uh.cu]
 Yes, could add water molecules with the tool xyzedit and simulate your
 sistem with the tool dynamic of TINKER, a free software for windows and
 linux at http://dasher.wustl.edu/tinker/
 David Santos Carballal
 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
 > _______________________________________>
 >
 >