Re: [AMBER] Could the energy decomposition be carried out in the AmberTools?

From: Jason Swails <>
Date: Thu, 9 Dec 2010 20:45:24 -0500

I believe PBSA might. Take a look at how creates the
decomposition input files, and that should give you a good idea. This will
only decompose the PBSA terms (namely PB and SA, and I'm not sure if SA is
decomposable in pbsa) to my knowledge.

Decomposition is not set up through nab/GB.

Hope this helps,

On Thu, Dec 9, 2010 at 8:23 PM, Yao-Chi Chen <>wrote:

> Hi, All:
> Does AmberTools also serve the energy decomposition into residue-related
> contribution for a given protein structure? ( by using )
> Thanks.
> backy
> _______________________________________________
> AMBER mailing list

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
AMBER mailing list
Received on Thu Dec 09 2010 - 18:00:03 PST
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