Re: AMBER: ptraj and quasi harmonic analysis

From: Myunggi Yi <>
Date: Wed, 18 Apr 2007 12:46:22 -0400

I'm not familiar with this kind of analysis.
Since nobody answer you, I'd like to share my opinion.

If you want to calculate the entropic component "upon" a ligand binding,
at least you need three simulations with complex, receptor alone, and
ligand alone.
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Received on Sun Apr 22 2007 - 06:07:15 PDT
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