From owner-chemistry@ccl.net Sat Sep 13 11:30:01 2008
From: "Markus Kaukonen markus.kaukonen-.-iki.fi" <owner-chemistry]*[server.ccl.net>
To: CCL
Subject: CCL: comparison between 2 different structures
Message-Id: <-37745-080912110728-18300-Zv9rANGh3iGFFqKRrWpOxQ]*[server.ccl.net>
X-Original-From: "Markus Kaukonen" <markus.kaukonen||iki.fi>
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Date: Fri, 12 Sep 2008 16:24:03 +0300
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Sent to CCL by: "Markus Kaukonen" [markus.kaukonen_-_iki.fi]

Terve Vivek!

You might have a look in an amber tutorial:
http://amber.scripps.edu/tutorials/advanced/tutorial3/index.htm

We made an extension to AMBER-MM-PBSA presented in the tutorial, in
which the active site can be treated with QM (Kaukonen et al. accepted
JPCB)

Terveisin Markus




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