diff --git a/mlcolvar/tests/test_utils_io.py b/mlcolvar/tests/test_utils_io.py index efbe929..4c9b7f7 100644 --- a/mlcolvar/tests/test_utils_io.py +++ b/mlcolvar/tests/test_utils_io.py @@ -27,7 +27,7 @@ def test_loadDataframe(file_type): if __name__ == "__main__": test_datasetFromFile() test_datasesetFromTrajectories() - text = """ + text = """ CRYST1 2.000 2.000 2.000 90.00 90.00 90.00 P 1 1 ATOM 1 OH2 TIP3W 1 0.000 0.000 0.000 1.00 0.00 WT1 O ATOM 2 H1 TIP3W 1 0.700 0.700 0.000 1.00 0.00 WT1 H