Dear AMBER users,
what's the best way to calculate the radius of gyration (moment of inertia) with amber?
Also, comparing rmsd plots from Ptraj with the movie of same trajectory,
I cannot recognize very much correlation between between "good structures"
by inspection from movie and smallness of the rmsd value. Does anyone know how the fit to a reference structure in ptraj is done? This optimization procedure
seems to me highly nontrivial.
Thanks for any suggestions,
Best regards,
Robert
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Received on Mon Oct 27 2003 - 07:53:02 PST
