VMD-L Mailing List
From: Jevgenij Raskatov (jraskato_at_ucsc.edu)
Date: Wed May 27 2015 - 20:25:27 CDT
I have a model peptide, for which I would like to calculate alpha helix
content (deviation from an ideal alpha helix) over a trajectory of 50000
steps. I got as far as getting the PLUMED environment set up in VMD, but
everything beyond that was met with little success.
It is a small peptide (10 amino acids) that I am looking at, neutral caps.
Any help would be gratefully appreciated.
-- Dr. Jevgenij A. Raskatov Assistant Professor in Chemistry and Biochemistry Tel.: +1-831-459-2978 Department of Chemistry and Biochemistry Physical Science Building 356 1156 High Street Santa Cruz, CA 95064 USA