Re: [AMBER] problem with MMPBSA script

From: David A Case <>
Date: Thu, 1 Mar 2012 08:14:41 -0500

On Thu, Mar 01, 2012, kureeckal ramesh wrote:
> 1) I have completed 10ns os MD simulation for one of my protein solvated
> with water (no drug interaction).
> ...I was not able to succedd with bindign_energy calcaulation

What kind of binding energy are you trying to calculate, since it seems that
you have no ligand or drug? [If you want to estimate the interaction free
energy between protein and water, that is given by the PBSA model itself.]


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Received on Thu Mar 01 2012 - 05:30:03 PST
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