I have noticed that when I convert MOL2->PDBQT that in some cases the bonds and protonation of the molecule are changed.
I am including two such examples. Thoughts? thanks, Scott
mol3_core.pdbqt
Description: Binary data
mol2_core.pdbqt
Description: Binary data
mol2_core.mol2
Description: Binary data
mol3_core.mol2
Description: Binary data
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