From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Tue Mar 09 2004 - 10:42:19 CST
I am not familiar with that option, but in the steps to solve the problem
don't change.
You would still need to define the pairs from each protein that are
interacting with each other. I don't know that the answer would be much
different than one gained from the proceedure outlined below.
I could be wrong and would challenge you to do the calculation and post
the results!
Brian
On Tue, 9 Mar 2004, Gadi Oron wrote:
> 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
>
*****************************************************************
**Brian Bennion, Ph.D. **
**Computational and Systems Biology Division **
**Biology and Biotechnology Research Program **
**Lawrence Livermore National Laboratory **
**P.O. Box 808, L-448 bennion1_at_llnl.gov **
**7000 East Avenue phone: (925) 422-5722 **
**Livermore, CA 94550 fax: (925) 424-6605 **
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