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
molecule).
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.
Thanks
John
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Received on Thu Nov 04 2010 - 09:00:02 PDT
