Re: [AMBER] PCA Contributions

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 25 Jul 2013 16:09:58 -0600

Hi,

On Thu, Jul 25, 2013 at 2:20 PM, Pavan G <pavanamber.gmail.com> wrote:
> But this would mean that contribution of 2nd eigenvector is more than 1st
> eigenvector which seems incorrect since
> 1>2>3>4>5.

When you analyze mass-weighted covariance matrices (quasi-harmonic
analysis) the eigenvalues are converted into units of cm^-1, so the
smallest # in your case does correspond to the largest eigenvalue.

-Dan 

-- 
-------------------------
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 Jul 25 2013 - 15:30:03 PDT
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