[AMBER] Eigenvalues from PCA in cpptraj

From: Adam Jo Elatico <ajelatico.up.edu.ph>
Date: Wed, 1 Aug 2018 19:39:50 +0800

Hi all,

I'm trying to perform principal component analysis on my system trajectory
using cpptraj. I've noticed that the eigenvalue for each mode increases
with increasing mode number. Thus, the fractional contribution of each
eigenvalue increases as well.

What does this mean? Does it mean that mode #1 does not correspond to PC1
(i.e., the PC with the largest contribution to overall motion)? Please do
enlighten me.

Many thanks!
Adam


-- 
*Adam Jo J. Elatico*
Science Researcher
University of the Philippines Diliman
Quezon City, Philippines 1101
Phone: +639364081744
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 01 2018 - 05:00:03 PDT
Custom Search