Dear professors:
I clustering my system using the ptraj module, and the program produced the file like "clust_out.rep.c0" as the represent structure of the cluster 1. I wanted to know that which snapshot this structure extracted from. I think this represent structure is the centroid of the cluster 1, I want to know which snapshot it is at the MD trajectory.
Thank you!
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Received on Wed Feb 16 2011 - 02:00:03 PST
