From 9c5a6af561609e80741fe4ad3781f2f40612e583 Mon Sep 17 00:00:00 2001 From: Matt Johnson Date: Thu, 21 Nov 2024 12:30:49 -0800 Subject: [PATCH] clean up --- pynta/tasks.py | 1 - 1 file changed, 1 deletion(-) diff --git a/pynta/tasks.py b/pynta/tasks.py index 5eeea3ee..b44b6ebd 100644 --- a/pynta/tasks.py +++ b/pynta/tasks.py @@ -1242,7 +1242,6 @@ def run_task(self, fw_spec): sample_fws = [] calculation_directories = [] for i,config in enumerate(configs_for_calculation): - assert config.atoms[1].site == "bridge" adname = None for admol_name,config_list in admol_to_config_for_calculation.items(): if any(x is config for x in config_list):