[AMBER] MM/PBSA calculation.

From: Him Shweta <shwetahim.gmail.com>
Date: Mon, 23 Jun 2014 15:39:47 +0530


I am using MM/PBSA for binding energy calculation for G-quaderuplex ligand
system. In MM/PBSA.py it is recomended to set born radii before making the
topology file for ligand, receptor, complex and solvated complex.
I just wanted to know which born radii i should use for G-quadruplex-ligand
In the tutorial PBRadii is set to "mbondi2".

Looking for your inputs.
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Received on Mon Jun 23 2014 - 03:30:03 PDT
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