Charalampos Livas
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Charalampos Livas
Thanks for your quick reply, @charnley! The thing that I don't fully get is what the coordinates of the 'calculate_rmsd -p' command are. Which method is used to reorder the...
@nbehrnd so if the coordinates printed by '-p' flag are the ones coming from the Hungarian algorithm, shouldn't the two cases ``` calculate_rmsd --reorder --reorder-method hungarian opt.xyz sp.xyz calculate_rmsd --reorder...