haddocking / haddock3

Official repo of the modular BioExcel version of HADDOCK
https://www.bonvinlab.org/haddock3
Apache License 2.0
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clarify error message in ilrmsdmatrix when single chain structures are provided #920

Open mgiulini opened 4 days ago

mgiulini commented 4 days ago

Obviously trying to calculate an ilrmsdmatrix for a single chain ensemble does not make sense. But the current error message is not clear enough about the nature of the error. Thanks @VGPReys for spotting this