Dear all, I am new to using relax and run the GUI of relax 4.0.8. and 4.1.1 version on Mac OS High Sierra 10.13.6. When trying to fit my relaxation data I ran into to following problem: The Monte Carlo simulation seemed to get stuck at random simulation numbers (mostly before reaching 100) without giving an error output. I thought it might have been a hardware problem as 100% of the CPU was used so I reduced the number of spins to 20 and it worked. By coincidence I found that after successfully running a MC with a small number of spins and then repeating it with the whole protein strangely seemed to solve the problem. As I was able to reproduce this I set up a new pipeline for another protein of similar size and repeated the procedure as before which then failed. When going back to the pipeline that already worked before there is no issue when running relax for the whole protein. I encounter this problem for both versions of relax that I use and as far as I can tell I didn’t make a mistake regarding the setup. I tried it on another Mac with better hardware and it showed the same result, too. Did anyone else ran into this problem before or does know a solution for it? I already searched the archive but did not find any post that described something similar. I hope you can help me! Cheers, Oliver
-- Oliver Arnolds, M.Sc. AG Biomolekulare NMR (NC5/173) Faculty of Chemistry and Biochemistry Ruhr-University Bochum Universitaetsstrasse 150 44801 Bochum Germany Tel.: +49 234 32-26246 _______________________________________________ nmr-relax-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/nmr-relax-users
