[gmx-users] principal component and essential dynamics analysis
Nuno R. L. Ferreira
nunolf at ci.uc.pt
Wed Oct 19 13:24:05 CEST 2005
I'm also in the process of learning the basics.
Check this manual. I found it very usefull to get a first aproximation of
PCA. It has the basic mathematical background you need and then an example,
which is fine for us to check if we understood the methodological process.
Regarding a tutorial about direct application to MD, I'm still searching for
Hope that helps you, at least could be the first glance to PCA.
----- Original Message -----
From: "Prof. Y. U. Sasidhar" <sasidhar at chem.iitb.ac.in>
To: <gmx-users at gromacs.org>
Sent: Wednesday, October 19, 2005 12:11 PM
Subject: [gmx-users] principal component and essential dynamics analysis
> we are interested in performing principal component and essential
> dynamics analysis of our trajectories. Is there a tutorial/ primer
> which will help us get started ? We have no previous experience
> with this kind of analysis. Any suggestion about reading material is
> also welcome.
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