Follow-up Comment #14, task #7404 (project relax): Modifying test_suite/shared_data/structures/Indol_test.xyz This is Han's patch https://gna.org/task/download.php?file_id=13245 attached to the task http://gna.org/task/?7404. In the test_suite/shared_data/structures/Indol_test.xyz 0.00000 after the molecule name was removed. The reason for that is because in a typical xyz file the second line is just the molecule name. _______________________________________________________ Reply to this item at: <http://gna.org/task/?7404> _______________________________________________ Message sent via/by Gna! http://gna.org/