Dear amber users,
I have some general queries in PCA analysis. Any suggestions or guidelines
regarding this would be very helpful.
1. I read in an article about obtaining exactly 3 eigenvectors in a PCA
analysis. But, in practice, the user requests the number of eigenvectors to
be generated. Is there any procedure to obtain only 3 eigenvectors as the
author says?
2. In case we obtain the eigenvectors, is there any way to identify or
visualize, which direction the eigenvector represents?
3. Amber gives the displacement of atoms in three directions (x, y and z).
But, how to calculate the total displacement of any atom in the direction
of a given eigenvector?
4. If the author talks about 3 eigenvectors and displacement in one
direction, can it mean the x, y and z displacements? If so, how can we
visualize the x, y and z axes
Thanking you,
Muthukumaran
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Received on Mon Apr 20 2015 - 05:00:02 PDT
