Re: [AMBER] PCA analysis

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 6 Sep 2012 10:09:16 -0600

Hi,

Per the manual, you should be able to specify a mask of the atoms you
want to the matrix command, e.g.:

matrix covar name cacovar @CA

Let me know if that doesn't work for you.

-Dan

On Thu, Sep 6, 2012 at 9:53 AM, Sangita Kachhap <sangita.imtech.res.in> wrote:
>
> Hello all
> I want to do PCA analysis for residue - residue fulctuation of alpha carbon.
> I go through the Correlation and fluctuation facility in AmberTool and also the
> amber mailing list. There is matrix command to generate covariance matrix but it
> generate covariance matrix byatom.
>
> How I can gerenate residue - residue fulctuation map of alpha carbon using
> covvariance matrix?
>
>
> With regards
>
>
> Sangita Kachhap
> SRF
> BIC,IMTECH
> CHANDIGARH
>
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-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
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Received on Thu Sep 06 2012 - 09:30:05 PDT
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