sulfate and sulfamate parameters

From: jeff dyason <>
Date: Thu 28 Mar 2002 14:28:55 +1000

        I am a relative newcomer to AMBER and I am interested in
simulations of sulfated carbohydrates. I have found force field
parameters and prep files for various carbohydrates as part of the
GLYCAM parameter set. For the sulfate and sulfamate groups I have been
able to find a reference in literature (J Comp Chem 16(1), 56-79 (1995))
which derives the appropriate parameters and I was wondering if anyone
had previously used these parameters and could e-mail me the appropriate
parameter and prep files ? The paper talks about using these parameters
as part of AMBER version 2.3 or 3A, would they be of any use with the
later versions of the forcefield i.e. parm99 ?

Thanks Jeff.
Jeff Dyason e-mail:
Centre for Biomolecular Science and Drug Discovery
Griffith University (Gold Coast Campus)
PMB 50 Gold Coast Mail Centre Tel: +61 7 5552 7028
Queensland 9726 Australia Fax: +61 7 5552 8098

Received on Wed Mar 27 2002 - 20:28:55 PST
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