i've always thought it was the group with maximum radius- the radgyr is an
average.
not 100% certain though.
On Tue, Mar 23, 2010 at 6:44 AM, Beale, John <John.Beale.stlcop.edu> wrote:
> When using ptraj with "radgyr" to give the radius of gyration vs. time,
> the output *.dat file contains three columns- the time, RadGyr, and
> MaxRad. What is the MaxRad column giving me? The numbers in the MaxRad
> column are always larger than those in RadGyr (35 or so vs. around 14).
> Thanks!
>
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> John
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Received on Tue Mar 23 2010 - 07:00:05 PDT
