AMBER Archive (2004)

Subject: Re: AMBER: ptraj analyze matrix entropy

From: Holger Gohlke (gohlke_at_bioinformatik.uni-frankfurt.de)
Date: Fri May 07 2004 - 07:48:51 CDT

Marcin Krol schrieb:
>
> dear all
>
> I don't quite understand the content of the file written by analyze
> matrix command, what is printed first? Average coordinates?

In the eigenvector file, first the average coordinates are written and
then the eigenvectors in the order of increasing
frequencies/wavenumbers.

Best regards

Holger

>
> Thank you in advance for your answers
> marcin krol
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-- 
++++++++++++++++++++++++++++++++++++++++++++++++++                             
Dr. Holger Gohlke

J.W. Goethe-Universität
Fachbereich Biologie und Informatik
Institut für Mikrobiologie	
Marie-Curie-Str. 9              
60439 Frankfurt/Main            
Germany                         

Tel.:  (+49) 69-798-29411; Fax: (+49) 69-798-29826
Email: gohlke_at_bioinformatik.uni-frankfurt.de
URL:   http://www.rz.uni-frankfurt.de/~hgohlke
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