Hello, I am trying to analyze the NMR relaxation data of a protein with respect to the model-free analysis. I have two sets of R1, R2 and NOE data measured at different field strengths. I set up the analysis with the dauvergne_protocol.py I chose all models in the spirit of the fully automated analysis. The first few diffusion models were computed relatively fast but the program has been on the ellipsoid model for days. The local_tm was run first, followed by sphere(1 round) , prolate(1024 rounds), oblate (906 rounds). However, the ellipsoid model is at round 22342. Can I check somehow whether the program is converging every so slowly or whether I should abort the calculation?
Thanks you for the help! Sincerely, Johannes Dietschreit _______________________ Johannes C. B. Dietschreit BSc Science _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list relax-users@gna.org To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
