Produce n=2 when ports are not capped (#1069)

mosdef-hub · Dec 12, 2022 · 8e48eb4 · 8e48eb4
1 parent 82977a2
commit 8e48eb4
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/mbuild/lib/recipes/alkane.py b/mbuild/lib/recipes/alkane.py
@@ -64,7 +64,8 @@ def __init__(self, n=3, cap_front=True, cap_end=True):
                         )
                         self.add(chain["up"], "up", containment=False)
                 else:
-                    chain = CH2()
+                    chain = mb.recipes.Polymer(monomers=[CH2()])
+                    chain.build(2, add_hydrogens=False)
                     self.add(chain, "chain")
                     self.add(chain["down"], "down", containment=False)
                     self.add(chain["up"], "up", containment=False)