From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Mon Oct 12 2009 - 10:40:08 CDT
On Mon, 2009-10-12 at 19:54 +0530, Monika Sharma wrote:
hi monika,
> And also if I can use this average trajectory for further PCA
> analysis, will
> it be meaningful?
if you want to do a PCA, you can just concatenate the individual
trajectories and analyze them together. PCA does not consider
any time correlation, so having only "pieces" of trajectories
should be just fine, for as long as you can define a good reference
state, but that is a generic problem of PCA, and not an issue
of combining different trajectories of the same system.
cheers,
axel.
> All suggestions are welcome. If I am wrong, please correct me.
>
> Thanking you,
> Regards
> Monika
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com Institute for Computational Molecular Science College of Science and Technology Temple University, Philadelphia PA, USA.
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