RE: PCA calculation

From: Xu, Jiancong (
Date: Mon Feb 11 2008 - 10:21:08 CST

Don't think so. One thing you can do is to convert dcd trajectory to any other format that can be read by gromacs, and use gromacs to calculate PCA.


-----Original Message-----
From: on behalf of ramya narasimhan
Sent: Mon 2/11/2008 2:49 AM
Subject: namd-l: PCA calculation
Hi all,
           Is it possible to calculate PCA for MD trajectories using NAMD?
Thanks in advance.


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