That almost all, I think, protein structures and models were
deposited without pre-energy minimization. Not like carbohydrates.
The RMSD is a little large, .5 to 1 A and then some. The difference
is in using a physically realistic set of interactions. This won't matter
in an MD however.
In this time of the pandemic, it should be reasonable to be accurate.
Gordon Chalmers
Department of Computer Science
Complex Carbohydrate Research Center
University of Georgia
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Received on Sun Jan 03 2021 - 05:00:02 PST
