diff --git a/environment-dev.yml b/environment-dev.yml index 7fd0e7ee..e6f42b5b 100644 --- a/environment-dev.yml +++ b/environment-dev.yml @@ -13,7 +13,7 @@ dependencies: - openmm - parmed>=3.4.3 - ele - - openff-toolkit >=0.11.0 + - openff-toolkit >=0.11 - gmso - pip - pre-commit diff --git a/foyer/topology_graph.py b/foyer/topology_graph.py index c2fb0ff3..e187e774 100644 --- a/foyer/topology_graph.py +++ b/foyer/topology_graph.py @@ -197,7 +197,7 @@ def from_openff_topology(cls, openff_topology: "OpenFFTopology"): if uses_old_api: from parmed import periodic_table as pt - for top_atom in openff_topology.topology_atoms: + for top_atom in openff_topology.atoms: atom = top_atom.atom element_symbol = pt.Element[atom.atomic_number] top_graph.add_atom(