[gmx-users] Quasi-harmonic entropy

Bert de Groot bgroot at gwdg.de
Wed Dec 3 13:15:01 CET 2003

Chng Choon Peng wrote:
> Dear All,
>   We wish to compute the quasi-harmonic entropy and wonder if there's
> programs or code written by some group that can compute this?

use g_covar. The only thing you need in addition is a simple script
(e.g. awk) to parse the eigenvalues.



ATTENTION: Please note new phone number below!

Dr. Bert de Groot

Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11 
37077 Goettingen, Germany

tel: +49-551-2012308, fax: +49-551-2012302

email: bgroot at gwdg.de

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