[AMBER] compare two trajectories

From: Xing <stecue.gmail.com>
Date: Fri, 10 Jul 2015 15:35:10 -0400

Dear All,

I have obtained two equilibrium trajectories of a protein using two slightly different approaches. Is there a rigorous way to show that the structures of the two trajectories are statistically the
same (and therefore the two results of the approaches are identical)? RMSD with respect to their overall averaged structure and individual averages? I think the energy cannot be compare because the
number of water molecules are different when solvating in xleap.

Best wishes,
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Received on Fri Jul 10 2015 - 13:00:02 PDT
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