if i may add to Ganesh's question,
is it safe to say that the first column in the out file of the radgyr is
the average distance from the center of mass of a polymer to its edges?
and that the second column is the radius of the smallest sphere that can
enclose the entire polymer?
Ganesh Kamath wrote:
> Hi amber users,
>
> Could anyone please tell how radius of gyration is calculated in ptraj. The
> formula that is used using the command
> radgyr.
>
> thanks,
>
> ganesh
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Received on Fri Apr 16 2010 - 07:30:05 PDT
