diff --git a/gufe/components/smallmoleculecomponent.py b/gufe/components/smallmoleculecomponent.py index 814c473b..6e46ff57 100644 --- a/gufe/components/smallmoleculecomponent.py +++ b/gufe/components/smallmoleculecomponent.py @@ -209,7 +209,10 @@ def to_openff(self): """ from openff.toolkit.topology import Molecule as OFFMolecule - m = OFFMolecule(self._rdkit, allow_undefined_stereo=True) + m = OFFMolecule(self._rdkit, + allow_undefined_stereo=True, + hydrogens_are_explicit=True + ) m.name = self.name return m