From 74032c9d7a660ecf60e833e0e425100c9aff1211 Mon Sep 17 00:00:00 2001 From: chrisjonesBSU Date: Mon, 12 Aug 2024 08:22:46 -0600 Subject: [PATCH] add cap hyrogens to head and tail monomers --- mbuild/lib/recipes/polymer.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/mbuild/lib/recipes/polymer.py b/mbuild/lib/recipes/polymer.py index 19340fffa..9209a532d 100644 --- a/mbuild/lib/recipes/polymer.py +++ b/mbuild/lib/recipes/polymer.py @@ -211,7 +211,7 @@ def build(self, n, sequence="A", add_hydrogens=True): # Defaut to 1/2 H-C bond len head_tail[i].update_separation(0.0547) hydrogen["up"].update_separation(0.0547) - self.add(hydrogen) + head_tail[i].parent.add(hydrogen) force_overlap(hydrogen, hydrogen["up"], head_tail[i]) head_tail[i] = None else: