Date: Fri, 2 Mar 2012 07:57:35 -0600
I hope that someone can help me. I need to plot the end-to-end distances vs. MD time for some short protein chains. I assume that the "distance" action command in either ptraj or cpptraj would form the basis of what I want to do. How can I compute the distances at my trajectory time points so that I can plot the data?
Thanks!
John
John M. Beale, Jr., Ph.D.
Professor of Medicinal Chemistry and Pharmacognosy
Saint Louis College of Pharmacy
Department of Neurology, Washington University School of Medicine
Office: 314-446-8461
Cell: 314-315-0409
FAX: 314-446-8460
John.Beale.stlcop.edu<mailto:John.Beale.stlcop.edu>
bealej.neuro.wustl.edu<mailto:bealej.neuro.wustl.edu>
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