AMBER Archive (2003)

Subject: Re: AMBER: monitor vdw along time

From: Holger Gohlke (gohlke_at_scripps.edu)
Date: Fri Jul 25 2003 - 13:56:28 CDT

Ling Zhang wrote:
>
> Dear all,
>
> I want to measure the vdw interaction between two residues along time. But Anal in amber6 can only do the static analysis. Does anyone know a way to do it?

The decomposition part of mm_pbsa of amber7 allows to get time series of
interactions between two residues.

Best regards

Holger

Thanks a lot.
>
> Best,
> Ling
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-- 
+++++++++++++++++++++++++++++++++++++++++++++
Dr. Holger Gohlke
Dept. of Molecular Biology, TPC15
The Scripps Research Institute
10550 N. Torrey Pines Rd.
La Jolla CA 92037  USA
phone: +1-858-784-9788
fax:   +1-858-784-8896
email: gohlke_at_scripps.edu
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