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Why does Glide produce duplicate poses even when a large RMS cutoff to discard duplicates is specified in the Output tab?

April 26, 2017cutoff discard duplicate duplicates glide large poses RMS

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Why does Glide produce duplicate poses even when a large RMS cutoff to discard duplicates is specified in the Output tab?

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If the requested number of poses per ligand is larger than 10, Glide does not take symmetries into account when clustering, due to the computational cost of those calculations for larger sets. As a result, it is possible in these cases to get poses that are duplicates when atom reordering is considered.