CCL: Amber calculation with Gaussian
- From: Evgeniy Gromov <Evgeniy.Gromov()
tc.pci.uni-heidelberg.de>
- Subject: CCL: Amber calculation with Gaussian
- Date: Sat, 01 Oct 2005 20:17:11 +0200
Sent to CCL by: Evgeniy Gromov [Evgeniy.Gromov^tc.pci.uni-heidelberg.de]
Dear All,
I have a question related to Amber type (molecular mechanics)
calculations using Gaussian03. Does anybody know some (free) soft
(except for GaussView) which allows one to specify automatically
all necessary for Amber input information (i.e. the type of
hybridization, partial charge etc. for all atoms) in the format
required by Gaussian. Thanks.
Best,
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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