Re: [AMBER] MMGBSA energy decomposition per frame

From: Jason Swails <>
Date: Tue, 30 May 2017 10:47:17 -0400

On Sun, May 28, 2017 at 9:29 AM, Thomas Evangelidis <>

> Greetings,
> Is it possible to have the per residue decomposition of the MMGBSA binding
> free energy for every frame?

​Check out the "-deo" flag (decomposition energy output). This dumps a CSV
file with all of the energies for each species for each frame.


Jason M. Swails
AMBER mailing list
Received on Tue May 30 2017 - 08:00:04 PDT
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