You should look at the paper by Pavelites and Gao - J Comp Chem, 1997, 18,
p221-239
In the supplementary material they provide a complete set of parameters for
NADH and NAD+ - these are for CHARMM but can easily be converted for use in
Amber.
All the best
Ross
/\
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|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
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http://www.rosswalker.co.uk/ | PGP Key available on request |
_____
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
Jiten
Sent: 01 December 2003 06:01
To: amber.scripps.edu
Subject: AMBER: NAD+ and NADH amber parameters
To Amber community,
Does anybody tell me where could I get the NAD+ and NADH parameters.
Thanking you,
Sincerely yours,
N. Jiten Singh
C/O Prof. Kwang S. Kim
Department of Chemistry
Pohang University of Science and Technology
San 31, Hyojadong, Namgu
Pohang 790-784, Korea
Phone : 82-54-279-5853 ( Lab ) / 279-4138 ( Appt )
Fax : 82-54-279-8137 (or +82-54-279-3399)
Web : http://csm.postech.ac.kr/ and http://www.postech.ac.kr/e
Home Page : http://www.geocities.com/njs_19
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Received on Wed Jan 14 2004 - 15:53:03 PST
