clustering conformations

From: Dave Venky (
Date: Mon Nov 20 2006 - 12:42:58 CST

Hi, I need to cluster 5000 snapshots from my simulations based on
similar confomations. What is the best way to do this.

I thought of calculating pairwise RMS deviations and cluster based
on the RMS deivations. While I have calculated the RMS, I dont know how
to cluster. Is there a program to do this?


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