AMBER Archive (2009)

Subject: [AMBER] radius of gyration

From: Beale, John (jbeale_at_stlcop.edu)
Date: Fri Apr 17 2009 - 06:39:31 CDT

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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