diff --git a/wario/utils.ipynb b/wario/utils.ipynb index 17d6058bfe1c135a17f1e9ff95d93071ab2f7533..993c6d6047ca7330c73459add52b718667164bb2 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\") "