[AMBER] per-residue or pairwise per-residue basis in decomposing the free energy contributions to the binding free energy

From: Andrew Bostick <andrew.bostick1.gmail.com>
Date: Sat, 5 Dec 2015 22:50:19 +0330

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?

I am beginner in amber. Any help will highly appreciated.
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Received on Sat Dec 05 2015 - 11:30:03 PST