Follow-up Comment #11, bug #21187 (project relax): Thank you for the workaround! Is this fix already in the SVN now? It's a shame that AMBERs "reduce" generates faulty files. I actually liked using it because it makes a few little adjustments after adding the hydrogens. But if this gives me de facto corrupted files I maybe just should use the attach_protons function of relax! Probably the conformational differences are too small to make a real difference in the subsequent MF analysis, given how large the actual errors of my rates etc actually are. I will look into this and if there's any difference, report back here. _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?21187> _______________________________________________ Message sent via/by Gna! http://gna.org/