diff --git a/python/BioSimSpace/FreeEnergy/_atm.py b/python/BioSimSpace/FreeEnergy/_atm.py index ef61a42f..4d1fe516 100644 --- a/python/BioSimSpace/FreeEnergy/_atm.py +++ b/python/BioSimSpace/FreeEnergy/_atm.py @@ -735,7 +735,9 @@ def _findAtomIndices(self): self._first_ligand_bound_atom_index = self._system.getIndex( ligand_bound_atom_start ) - self._last_ligand_bound_atom_index = self._system.getIndex(ligand_bound_atom_end) + self._last_ligand_bound_atom_index = self._system.getIndex( + ligand_bound_atom_end + ) ligand_free_atom_start = self._system[self._ligand_free_index].getAtoms()[0] ligand_free_atom_end = self._system[self._ligand_free_index].getAtoms()[-1]