Dear Amber Experts,
I am trying to use the following commands in cpptraj to do clustering analysis for my trajectories.
trajin md50.mdcrd.gzcluster C1 :1-1000 clusters 3 epsilon 4.0 out cnumvtime.dat summary avg.summary.dat
I found three clusters afterwards in the dat files. I am trying to get a better understand about the average structure for each cluster. Can I do it with cpptraj? If yes, could you mind to teach me how to modify the above trajectories to get the file?
Best regards,
Catherine.
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Received on Mon Aug 20 2012 - 00:30:03 PDT
