AMBER Archive (2002)

Subject: sulfate and sulfamate parameters

From: jeff dyason (j.dyason_at_mailbox.gu.edu.au)
Date: Wed Mar 27 2002 - 22:28:55 CST

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Hi,
        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.
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Jeff Dyason e-mail: J.Dyason_at_mailbox.gu.edu.au
Centre for Biomolecular Science and Drug Discovery
Griffith University (Gold Coast Campus)
        http://www.gu.edu.au/centre/cbsdd
PMB 50 Gold Coast Mail Centre Tel: +61 7 5552 7028
Queensland 9726 Australia Fax: +61 7 5552 8098

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