AMBER Archive (2008)

Subject: AMBER: tutorial_8_section_6

From: Urszula Uciechowska (urszula.uciechowska_at_pharmazie.uni-halle.de)
Date: Wed Jan 23 2008 - 11:04:38 CST

Dear AMber users,

I am trying to do the cluster analysis with MMTSB toolset. I am using now the data from tutorial
8, my problem is that after running the clustering with command:

>kclust -mode rmsd -centroid -cdist -heavy -lsqfit \
  -radius 6 -maxerr 1 -iterate \
   ../clustfils > ../Centroid_6
 
the Centroid_6 file is empty. I didnt get any errors as well.
What can be wrong and how could I solve it?

Thank you in advance for any advices

Best Regards,
Urszula Uciechowska

MSc.PhD Student
Medicinal Chemistry Group
University of Halle-Wittenberg
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