RE: PCA calculation

From: Xu, Jiancong (xuj1_at_ornl.gov)
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.

Jiancong

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

Ramya.L.

       
---------------------------------
 Chat on a cool, new interface. No download required. Click here.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:47:32 CST