Subject: AMBER optimization of metalloenzymes

From: Harald Lanig <[email-masked]>
Date: Wed, 08 Jul 1998 09:16:26 +0200

Dear netters,

optimizing metalloenzymes (e.g. Zn) with AMBER needs parameters
not included in the original 95 parameter set.
Has anybody out there experiences about how to perform such
calculations?

Any help is highly appreciated!

Regards

H Lanig
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 Dr. Harald Lanig
 Computer Chemie Centrum der Universitaet Erlangen/Nuernberg
 Institut fuer Organische Chemie I, Naegelsbachstr. 25
 D-91052 Erlangen, Germany
 
 Phone +49(0)9131-85 6581  Fax -85 6565
 mailto:[email-masked]
 http://www.ccc.uni-erlangen.de/clark/lanig
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