Re: [AMBER] Entropy Decomposition

From: David A. Case <case.biomaps.rutgers.edu>
Date: Fri, 24 Jun 2011 11:57:27 -0400

On Fri, Jun 24, 2011, Daniel Aiello wrote:

> Does Amber10 have a built in method for decomposing entropic components
> on a per residue or pair-wise residue basis? Thanks,

No. For biomolecules, the main contributions to entropy come from
low-frequency, collective motions that are not associated with any particular
residue.

....dac


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Received on Fri Jun 24 2011 - 09:00:03 PDT
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