[AMBER] Clustering molecule between copies (not between frames)

From: 浅井 賢 <suguruasai.gmail.com>
Date: Fri, 30 Jan 2015 21:06:20 +0900

Dear AMBER users

I'm using Amber 14 and I'm trying to cluster 50 copies of a single
molecule (very short peptide).
I know that I can cluster a single molecule in the trajectory via
'cpptraj' as:

     cluster clusters 10 rms :1-10 out cluster.log ...

But my system has 50 copies of the molecule (:1-10, :11-20, :21-30, ...)
and I'd like to find the difference not only between frames but also
between these copies of each frames.
Is there any way to do it? Any recommendations will be appreciated.


Laboratory of Plasmamembrane and Nuclear Signaling, Graduate school of 
Biostudies, Kyoto University.
Suguru ASAI
Tel: +81-75-753-7906
Fax: +81-75-753-7906
E-mail: asai.suguru.86x.st.kyoto-u.ac.jp
URL: http://www.lif.kyoto-u.ac.jp/labs/chrom/
Address: Room 419, Faculty of Medicine Bilding G (South Campus Research 
Bilding), Yoshida Konoemachi, Sakyo-ku, Kyoto, Japan
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Received on Fri Jan 30 2015 - 04:30:02 PST
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