Subject: Re: CCL:dynamical cross-correlation matrices

From: David van der Spoel <[email-masked]>
Date: Fri, 30 Nov 2001 09:55:54 +0100 (CET)

On Thu, 29 Nov 2001, [email-masked] wrote:

>Dear All,
>  I am wondering if anyone knows of any software (preferably free)
>that would compute dynamical cross-crrelation matrices for a protein
>simulation.  What other software could be used to display it in color
>coded 2D plot?  I have a trajectory in AMBER coordinate file format.
gromacs can do it (www.gromacs.org)
It can also read AMBER trajectories.

the program in the gromacs suite that you want is g_covar, check out the
manual at
http://www.gromacs.org/documentation/reference_3.0/online/g_covar.html

-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
[email-masked]	[email-masked]   http://zorn.bmc.uu.se/~spoel
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