Re: Binding Energy

From: Gadi Oron (gadi_at_proteologics.com)
Date: Tue Mar 09 2004 - 07:37:22 CST

Hi,

On Mon, 2004-03-08 at 21:23, Brian Bennion wrote:
> binding energies include an entropy term not easily determined from
> classical methods. Interaction energies can be gained by looking at the
> the totalpotential energy of the complex minus the sum of the potential
> energy of protein alone.

Aren't you supposed to be able to do it directly with the
pairInteraction option??

Ciao

-- 
================= Gadi ORON, PhD -o- Proteologics ======================
========== gadi/at/proteologics.com ========== +972 8 9475666 ==========
I would much rather have men ask why I have no statue, than why I have one.
		-- Marcus Procius Cato

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