Update the system with the correct molecule.

OpenBioSim · Oct 3, 2024 · ccd4489 · ccd4489
1 parent bfc08a3
commit ccd4489
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/somd2/_utils/_somd1.py b/src/somd2/_utils/_somd1.py
@@ -595,6 +595,6 @@ def _apply_pert(system, pert_file):
         raise ValueError(f"Failed to apply the perturbation in '{pert_file}'.")
 
     # Update the molecule.
-    system.update(mol)
+    system.update(pert_mol)
 
     return system