AMBER Archive (2009)

Subject: [AMBER] ptraj PCA - Highest Eigenvalues or First 2 Calculated?

From: Patrick Gedeon (patgpgh_at_gmail.com)
Date: Wed May 06 2009 - 23:12:39 CDT

Hello,

With the commands:

matrix covar name covmat out covmat-ca.dat @CA

analyze matrix covmat out evecs-ca.dat vecs 2

Will evecs-ca.dat contain simply the first two eigenvectors calculated or
the 2 eigenvectors with the highest eigenvalues and therefore the first two
principle components?

Thanks for the input.
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