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<pre wrap="">Hi Sasidhar,
Have a look at the publication list of:
Hess, B
de Groot, BL
van Aalten, DMF
You will find there a lot of useful papers.
Bests,
Ruben
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Nuno R. L. Ferreira escribió:<br>
<blockquote type="cite" cite="mid00b501c5d49f$9da5bb20$0a0110ac@gandalf">
<pre wrap="">Hi Sasidhar
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.
<a class="moz-txt-link-freetext" href="http://kybele.psych.cornell.edu/~edelman/Psych-465-Spring-2003/PCA-tutorial.pdf">http://kybele.psych.cornell.edu/~edelman/Psych-465-Spring-2003/PCA-tutorial.pdf</a>
Regarding a tutorial about direct application to MD, I'm still searching for
one.
Hope that helps you, at least could be the first glance to PCA.
Best regards,
Nuno
----- Original Message -----
From: "Prof. Y. U. Sasidhar" <a class="moz-txt-link-rfc2396E" href="mailto:sasidhar@chem.iitb.ac.in"><sasidhar@chem.iitb.ac.in></a>
To: <a class="moz-txt-link-rfc2396E" href="mailto:gmx-users@gromacs.org"><gmx-users@gromacs.org></a>
Sent: Wednesday, October 19, 2005 12:11 PM
Subject: [gmx-users] principal component and essential dynamics analysis
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<blockquote type="cite">
<pre wrap="">hi,
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.
--
Sasidhar
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