VMD-L Mailing List

From: niladri patra (npatra2_at_uic.edu)
Date: Tue Jul 16 2013 - 10:53:29 CDT

Hi,
I need a script to do the following job:

I have a system with 5000 atoms and it forms several small clusters (number
of carbon atoms 100 - 200 ) after simulations. Now I want to analyze the
distribution of cluster sizes (based on carbon numbers) in the system.

I was thinking if I can save a particular cluster type (based on atom
numbers) from the last frame in a separate pdb file and then I can count
the number of clusters visually.

Is there any script available for this job?

Thanks,
Niladri Patra 

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PhD candidate
Department of Chemistry
University of Illinois at Chicago
845 W Taylor St., Room 4500
Chicago, IL 60607
Tel. (312) 996-5393
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