[AMBER] Thr -> Met in TI calculation

From: fancy2012 <fancy2012.yeah.net>
Date: Sat, 5 Jun 2010 21:33:12 +0800 (CST)

Dear amber users,
I want to calculate the relative binding free energy between a small molecule binding to a protein of Wild Type and Thr -> Met using TI, so how should I prepare the two topology files of the protein (both WT and Thr -> Met)? Any suggestions will be highly appreciated?
All the best,
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Received on Sat Jun 05 2010 - 07:00:03 PDT
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