Re: [AMBER] About ANAL problem: Amber

From: David A Case <>
Date: Thu, 22 Mar 2012 08:14:10 -0400

On Thu, Mar 22, 2012, Soumya Lipsa Rath wrote:
> Do we have any alternatives to ANAL module in AMBER10 and 11?

Most people use some variant of mmpbsa to carry out energy analysis,
especially for protein/ligand complexes. Be aware that modern force fields
(either with explicit or implict solvent) are no longer pair-wise
decomposable, so most decomposition schemes involve a fair amount of
heurtistics. And entropy contributions have never been easily decomposable.


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Received on Thu Mar 22 2012 - 05:30:03 PDT
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