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When you have too few ligands available, calculation of correlation metrics in cinnabar will fail, see: OpenFreeEnergy/cinnabar#124
The easy fix here is to avoid calculating correlation metrics when this happens.
We should ammend the plotting script to optionally skip calculating these metrics, or if necessary provide a separate script.
The text was updated successfully, but these errors were encountered:
Here is the alternative plotting script we used in these cases.
plot_results.zip
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hannahbaumann
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When you have too few ligands available, calculation of correlation metrics in cinnabar will fail, see: OpenFreeEnergy/cinnabar#124
The easy fix here is to avoid calculating correlation metrics when this happens.
We should ammend the plotting script to optionally skip calculating these metrics, or if necessary provide a separate script.
The text was updated successfully, but these errors were encountered: