Hello,
I'm really glad you have developed pytraj, it has positively changed the
processing of my trajectories.
In cpptraj it is possible to obtain the gyration tensor of a selection
simply giving the appropriate option to the "radgyr" command. I'm trying to
achieve the same thing in pytraj, but I'm not able to find any way of doing
it... Am I missing something or it's an option not implemented? Can someone
point me in the right direction?
Many thanks for your help,
Regards,
Domenico.
--
*Domenico Marson, Ph.D.*
Department of Engineering and Architecture (DEA) Postdoctoral Fellow
Molecular Simulation Engineering (MOSE) Laboratory
University of Trieste
Skype: domenicomars
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Received on Tue Sep 19 2017 - 03:30:02 PDT
