[AMBER] (no subject)

From: <moitrayee.mbu.iisc.ernet.in>
Date: Tue, 22 Jun 2010 10:46:45 +0530 (IST)

Dear Amber Users,

I am doing a PCA using ptraj (Ambertools1.3).

Is it necessary to do center and image on the trajectories before going for pca
analysis. I am doing the analysis on a simulation run with periodic boundary
conditions.
Thanks a lot for you help in advance.

Sincere Regards,
Moitrayee

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Received on Mon Jun 21 2010 - 22:30:03 PDT