[gmx-users] principal component and essential dynamics analysis

[Ruben Martinez-Buey]

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 



Nuno R. L. Ferreira escribió:

>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.
>
>http://kybele.psych.cornell.edu/~edelman/Psych-465-Spring-2003/PCA-tutorial.pdf
>
>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" <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
>
>
>  
>
>>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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>
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