Follow-up Comment #1, bug #25054 (project relax): You have to read the output. It says there is an error: RelaxError: The spin ID '#hRGS7:12' corresponds to multiple spins, including '#hRGS7:12@N' and '#hRGS7:12@H'. When relax makes an error. The program exits. You have not labelled your data correct. _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?25054> _______________________________________________ Message sent via/by Gna! http://gna.org/