Re: AMBER: Entropy calculations with Nmode and ptraj

From: David A. Case <case.scripps.edu>
Date: Tue, 4 Apr 2006 15:50:55 -0700

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
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Apr 05 2006 - 06:07:08 PDT
Custom Search