On Sun, May 28, 2017 at 9:29 AM, Thomas Evangelidis <tevang3.gmail.com>
wrote:
> 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.
HTH,
Jason
--
Jason M. Swails
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Received on Tue May 30 2017 - 08:00:04 PDT
