AMBER Archive (2006)

Subject: Re: AMBER: Entropy calculations with Nmode and ptraj

From: David A. Case (case_at_scripps.edu)
Date: Tue Apr 04 2006 - 17:50:55 CDT

On Tue, Apr 04, 2006, Daniel Oehme wrote:
>
> We dont have much background in doing entropy calculations and were
> wondering if there was any literature out there that we could read
> that could help us get an understanding of these entropy calculation
> methods.
>

Googling just on "quasiharmonic" gets back too many extraneous hits, but
try "quasiharmonic karplus" -- most of the stuff on the first page of hits
looks pretty helpful. You can also try "quasiharmonic entropy", which gives
a different set of top hits.

....good luck....dac
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