Have to use values for common

OpenFreeEnergy · Dec 5, 2023 · fe06fa2 · fe06fa2
1 parent 3a5f1be
commit fe06fa2
Showing 1 changed file with 4 additions and 2 deletions.
diff --git a/feflow/protocols/nonequilibrium_cycling.py b/feflow/protocols/nonequilibrium_cycling.py
@@ -216,7 +216,8 @@ def _execute(self, ctx, *, state_a, state_b, mapping, settings, **inputs):
         # e. create the stateA System
         state_a_system = system_generator.create_system(
             state_a_modeller.topology,
-            molecules=list(chain(alchemical_small_mols_a.values(), common_small_mols)),
+            molecules=list(chain(alchemical_small_mols_a.values(),
+                                 common_small_mols.values())),
         )
 
         # 2. Get stateB system
@@ -229,7 +230,8 @@ def _execute(self, ctx, *, state_a, state_b, mapping, settings, **inputs):
 
         state_b_system = system_generator.create_system(
             state_b_topology,
-            molecules=list(chain(alchemical_small_mols_b.values(), common_small_mols)),
+            molecules=list(chain(alchemical_small_mols_b.values(),
+                                 common_small_mols.values())),
         )
 
         #  c. Define correspondence mappings between the two systems