From 8e59e4f88ae665e154acb63aa0e3f6e5191d79e7 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Javier=20Gonz=C3=A1lez-Delgado?= <jgonzalezd@laas.fr>
Date: Fri, 26 Apr 2024 15:12:35 +0000
Subject: [PATCH] Update utils.ipynb
---
wario/utils.ipynb | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/wario/utils.ipynb b/wario/utils.ipynb
index 17d6058..993c6d6 100644
--- a/wario/utils.ipynb
+++ b/wario/utils.ipynb
@@ -322,7 +322,7 @@
" \n",
" # Save pdb folder\n",
" for j in selected_conf:\n",
- " traj = md.load_pdb(\"/\".join([\"/\".join([var_dict[\"ensemble_path\"],var_dict[\"folders\"][0]]),j]))\n",
+ " traj = md.load_pdb(\"/\".join([\"/\".join([var_dict[\"ensemble_path\"],var_dict[\"folders\"][0]]),str(j)]))\n",
" traj.save_pdb(\"/\".join([save_files, \"\".join([ensemble_name,'_',str(j),'.pdb'])]))\n",
"\n",
" print(\"\\nFiles saved.\\n\") "
--
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