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()