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lohedges committed Oct 24, 2024
1 parent c2665ab commit 613c58c
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion python/BioSimSpace/FreeEnergy/_atm.py
Original file line number Diff line number Diff line change
Expand Up @@ -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]
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