fixed rg issue

nomad-coe · Aug 16, 2024 · 504a3e2 · 504a3e2
1 parent f24165e
commit 504a3e2
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/simulationworkflowschema/molecular_dynamics.py b/simulationworkflowschema/molecular_dynamics.py
@@ -1031,7 +1031,7 @@ class RadiusOfGyration(TrajectoryProperty):
 
     atomsgroup_ref = Quantity(
         type=Reference(AtomsGroup.m_def),
-        shape=[1],
+        shape=[],
         description="""
         References to the atoms_group section containing the molecule for which Rg was calculated.
         """,