AMBER: Cluster analysis by MMTSB or ptraj

From: Shuting Wei <>
Date: Fri, 28 Oct 2005 11:30:49 -0400

Dear Amber,

I want to study the complexation between two kinds of molecules. By
simulation annealing, i created 1000 snapshots of the complex. Now i need
to do cluster analysis for that, i tried MMTSB, but it doesn't work, no
cluster was found. Anyone know how to use MMTSB for the complex study?

I also heard that we can do cluster analysis by ptraj. Anyone has idea
about how to do that?

Thanks a lot!


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Received on Fri Oct 28 2005 - 16:53:00 PDT
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