VMD-L Mailing List

From: Peter Mawanga (peter.mawanga.lagos_at_gmail.com)
Date: Wed Mar 07 2018 - 11:09:19 CST

Hello VMD users

I would like to cluster the entire trajectory of a peptide with both Qres
(to account for alpha-carbon orientations) and RMSD using multiseq.

Although I am able to load all the 2000 frames, but the program stops
midway without giving any meaningful output.

For example, the RMSD values were same for all residues and frames of the
peptide and negative!!!

Is there any way of doing this clustering via TcL scripting or maybe
someone could kindly suggest an alternative? 

-- 
Cheers
Peter