[AMBER] cluster MD trajectory by attribute

From: Oliver Kuhn <oak.amber.googlemail.com>
Date: Mon, 18 Jul 2011 20:01:23 +0200

Dear Amber Users and Developers,

I want to cluster a MD trajectory by a list of given frame numbers that I
derived elsewhere.

In the AmberTools Manual, I find:
"It is now also possible to cluster by attribute, i.e., the
values of time series measured, and will be discussed later."
but i do not find anything more.

How can give ptraj a file containing frame numbers to write this selection?

Thanks for any help.


Oliver Kuhn, Department of Bioinformatics,
Center for Medical Biotechnology, University of Duisburg-Essen,
Universitätsstr. 1-5, 45141 Essen, Germany
phone +49 201 183-3121, oliver.kuhn.uni-due.de
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Received on Mon Jul 18 2011 - 11:30:03 PDT
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