From chemistry-request@server.ccl.net Thu Nov 29 16:03:32 2001
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Date: Thu, 29 Nov 2001 13:03:25 -0800 (PST)
From: eric hu <erichu_linux@yahoo.com>
Subject: binding energy contributions from vdw and coul
To: chemistry@ccl.net
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Hi, all

I'm working on binding energy calculation of an
antibody with its hapten. So far I've been using AMBER
and LIAISON (from Schrodinger company) to calculate
the linear response energy (LIE). I'm very interested
calculating the individual binding energy
contributions from vdw and coul interactions. I was
wondering if ther are other methods that can do this
job. Thanks.

Eric

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