Skip to content
Snippets Groups Projects
Commit d9a4b0d7 authored by Javier González-Delgado's avatar Javier González-Delgado
Browse files

Correct bug in cluster_descriptors

parent 04b9b2c5
No related branches found
No related tags found
No related merge requests found
Hide whitespace changes
Inline Side-by-side
Showing
with 2 additions and 2 deletions
wario/utils.ipynb
+ 2
− 2
View file @ d9a4b0d7
......@@ -421,8 +421,8 @@
"\n",
" if var_dict[\"do_pdb\"]:\n",
" \n",
" conf_list = os.listdir("/".join([var_dict["ensemble_path"],var_dict["folders"][0]]))\n",
" md_file = md.load_pdb(\"/\".join([var_dict["ensemble_path"], var_dict[\"folders\"][0],conf_list[0]]))\n",
" conf_list = os.listdir("/".join([var_dict[\"ensemble_path"\],var_dict[\"folders"\][0]]))\n",
" md_file = md.load_pdb(\"/\".join([var_dict[\"ensemble_path"\], var_dict[\"folders\"][0],conf_list[0]]))\n",
" L = md_file.topology.n_residues\n",
" Nconf = len(conf_list)\n",
" \n",
......
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment