AMBER: Sander TI

From: Cai, Yufeng <>
Date: Mon, 20 Dec 2004 13:11:29 -0500

Dear all,

       I am using Sander to perform TI calculating the differnce of free energy between a protein wildtype and mutant with an inhibitor. I am trying to decomposite the free energy by residues (or by atoms). Does anyone has any idea to do this in Sander? Thanks a lot.


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Received on Mon Dec 20 2004 - 18:53:00 PST
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