Re: [AMBER] energy per residue

From: case <case.biomaps.rutgers.edu>
Date: Tue, 5 Jan 2010 08:43:03 -0500

On Tue, Jan 05, 2010, Hemant Kumar wrote:

> I want to calculate interaction energy(vdw+coul+bond etc) of each residue
> in the system.
> Earlier version of amber has program called "anal" which can do it.

You can certainly continue to use anal if you wish. Or, look at the
"decomposition" facility in mm-pbsa.

...good luck...dac


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Received on Tue Jan 05 2010 - 06:00:19 PST
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