AMBER Archive (2007)

Subject: Re: AMBER: ptraj and quasi harmonic analysis

From: Myunggi Yi (myunggi_at_gmail.com)
Date: Wed Apr 18 2007 - 11:46:22 CDT

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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