Dear users,
This is a very old post from amber mailing list which is apparently
unanswered..
http://archive.ambermd.org/200107/0059.html
I have similar doubts as to the the calculation of principal axes in
cpptraj. Shouldn't the vectors x,y,z be mutually perpendicular to each
other or align with the coordinate axes of the molecule. I have used
similar script for calculation but the vectors don't seem to be correct..
Can you please suggest how can i get the 3 principal axes vectors which are
aligned w.r.t. coordinate axes..
Thanks
Asmita
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Received on Tue Oct 14 2014 - 04:30:02 PDT
