[AMBER] Binding energy and conformation

From: John S <s.john634.gmail.com>
Date: Thu, 4 Nov 2010 11:54:13 -0400

Dear Amber Users ,

As I understood from the manual on MMPBSA as tool to calculate the MM
binding energy , we need the vacuum topology files of ligand and receptor.
Now if I need to calculate the binding energy contribution due to one chain
of a molecule A with another chain of molecule B,(with chains as part of the

Do I need to make a vacuum topology file of each chain separately .Is there
any other way to obtain the contribution of each chain.

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Received on Thu Nov 04 2010 - 09:00:02 PDT
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