diff --git a/package/MDAnalysis/lib/distances.py b/package/MDAnalysis/lib/distances.py index f38c672a421..911a4e8b956 100644 --- a/package/MDAnalysis/lib/distances.py +++ b/package/MDAnalysis/lib/distances.py @@ -541,7 +541,7 @@ def _determine_method(reference, configuration, max_cutoff, min_cutoff=None, if len(reference) < 10 or len(configuration) < 10: return methods['bruteforce'] - elif len(reference)*len(configuration) > 1e8: + elif len(reference)*len(configuration) >= 1e8: # CAUTION : for large datasets, shouldnt go into 'bruteforce' # in any case. Arbitrary number, but can be characterized return methods['nsgrid']