From che5jwc -x- at -x- titan.vcu.edu  Tue May  5 13:29:02 1998
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Date: Tue, 5 May 1998 12:29:31 -0400 (EDT)
From: "John W. Cox" <che5jwc ":at:" titan.vcu.edu>
To: chemistry%!at!%www.ccl.net
Subject: CCL: ? ester using AMBER ? (fwd)
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> I'm interested in modeling DNA adducts with compounds that have ester
> ligands using the AMBER parameter set in Insight/Discover. I am familiar
> with adding atom types and parameter values to AMBER, but have run across
> a problem in the attempt to model esters (there are insufficient values
> for the OS atom type and its environment). Are these parameters available?
> I appreciate the help.
> Regards,
> John Cox
> Virginia Commonwealth University
> che5jwc ^%at%^ titan.vcu.edu