I am running a protein simulation with MD. I am trying to calculate the
radius of gyration over the course of the run. My ptraj script looks
like this:
trajin myfile.mdcrd
radgyr out radgyr.dat:1-152
When I look at the .dat file there are two columns. One is labeled
"radgyr" and one with higher magnitude numbers is labeled "maxrad". I
assume that the "radgyr" column is the one with the radius of gyration,
but what is "maxrad" telling me?
John Beale
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Received on Wed May 20 2009 - 11:28:26 PDT
