From cf8b95f57be65c3ec06e734da9e6ac9eb1c072fd Mon Sep 17 00:00:00 2001 From: Anika Date: Thu, 10 Oct 2024 12:44:06 -0600 Subject: [PATCH] Fix minor error with topology reading --- ensemble_md/utils/gmx_parser.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/ensemble_md/utils/gmx_parser.py b/ensemble_md/utils/gmx_parser.py index 3fd49c5..3b11bd4 100644 --- a/ensemble_md/utils/gmx_parser.py +++ b/ensemble_md/utils/gmx_parser.py @@ -392,6 +392,8 @@ def read_top(file_name, resname): line_sep.remove('') itp_files.append(line_sep[-1].strip('\n""')) file_dir, file_name = os.path.split(file_name) + if file_dir == '': + file_dir = '.' for file in itp_files: if os.path.exists(f'{file_dir}/{file}'): input_file = open(f'{file_dir}/{file}').readlines()