Re: [AMBER] mmpbsa.py to calculate binding energy between protein and a ligand when there are two ligands combined with the protein.

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From: ZHU JH <jewelryono.outlook.com>
Date: Tue, 12 Jul 2016 02:55:27 +0000

Dear Abhishek,

        When I consulted the amber manual,it says there is small discrepancy between 'igb=2' and 'igb=5'.

        Another,I used sample input files of the amber manual for reference.

        But,is there anything inappropriate to use'igb=5'?

        Thanks again.Looking forward to your replies.

        Best regards.
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Received on Mon Jul 11 2016 - 20:00:02 PDT