AMBER Archive (2008)

Subject: AMBER: Indentifying cluster center structures in trajectory

From: Anselm Horn (Anselm.Horn_at_biochem.uni-erlangen.de)
Date: Wed Jul 23 2008 - 02:14:41 CDT


Dear all,

I performed a cluster analysis using ptraj from the AmberTools
distribution, that worked quite well.
However, I did not find any hint in the resulting pdb files of the
cluster centers to what snapshot of the original trajectory they
correspond.

Is this information printed in any of the other output files?

Thanks in advance,

Anselm

Bioinformatik
Friedrich-Alexander-Universitt
Erlangen-Nrnberg
Germany
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