On Sat, Dec 5, 2015 at 2:20 PM, Andrew Bostick <andrew.bostick1.gmail.com>
wrote:
> Dear amber users
>
> I did MM-GBSA method to calculate binding free energy for protein (residues
> 1-314)-ligand (residue 315) system.
>
> I want to obtain data such as the figure in following link:
>
> https://www.dropbox.com/s/bvmk6kihoo8j0qj/decomposition.png?dl=0
>
> Which one of the per-residue or pairwise per-residue basis give what I
> want?
>
​Pairwise. It is the interaction of the ligand and other residues (ergo,
interaction of residue *pairs*).
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sat Dec 05 2015 - 12:30:05 PST
