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
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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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