From 504a3e23a6e98c30f9a13a43184576744a8eb9ec Mon Sep 17 00:00:00 2001
From: jrudz <rudzinski@mpip-mainz.mpg.de>
Date: Fri, 16 Aug 2024 14:05:40 +0200
Subject: [PATCH] fixed rg issue

---
 simulationworkflowschema/molecular_dynamics.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/simulationworkflowschema/molecular_dynamics.py b/simulationworkflowschema/molecular_dynamics.py
index e274039..3d57954 100644
--- 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.
         """,