From e28461ac0f6bf09a5096474adfaeba26a5435fb8 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Javier=20Gonz=C3=A1lez-Delgado?= <jgonzalezd@laas.fr>
Date: Fri, 26 Apr 2024 17:51:35 +0000
Subject: [PATCH] Correct bug in representative_ensemble
---
wario/utils.ipynb | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/wario/utils.ipynb b/wario/utils.ipynb
index 49f6a25..79a9a21 100644
--- a/wario/utils.ipynb
+++ b/wario/utils.ipynb
@@ -320,7 +320,7 @@
"\n",
" if var_dict[\"do_pdb\"]:\n",
" \n",
- " conf_list = os.listdir("/".join([var_dict["ensemble_path"],var_dict["folders"][0]]))
+ " conf_list = os.listdir("/".join([var_dict["ensemble_path"],var_dict["folders"][0]]))"
" # Save pdb folder\n",
" for j in selected_conf:\n",
" traj = md.load_pdb(\"/\".join([\"/\".join([var_dict[\"ensemble_path\"],var_dict[\"folders\"][0]]),conf_list[j]]))\n",
--
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