added ability to handle 'None' partial charges on OFFMols#119
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jchodera merged 1 commit intoopenmm:masterfrom Jun 16, 2020
Merged
added ability to handle 'None' partial charges on OFFMols#119jchodera merged 1 commit intoopenmm:masterfrom
jchodera merged 1 commit intoopenmm:masterfrom
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Making a note that we should remove this code once openforcefield/openff-toolkit#488 is addressed
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This PR fixes an issue that will come up with the upcoming OFF Toolkit 0.7.0 release, where we distinguish between
mol.partial_charges=Noneversuszeros. More details are here: openforcefield/openff-toolkit#486 (comment)