Hi everyone, I've been running a full_analysis script with relaxation data at two fields (600 and 900MHz). The calculations with models I to IV run successfully. However, the ellipsoid model does not converge even after 7 rounds and more than one week of calculation time.
I checked the mailing list and found one similar situation that happened to Sebastien (October 24, 2007. Vol.17 issue 8 ... Extremely long optimization times). I followed the suggestion by Edward in order to change the minimization protocol from "newton" to "simplex". The result is that after two weeks and 27 rounds the model ellipsoid still does not converge, and with each next round the minimization becomes slower and slower. The protein is an homodimer of 36KDa. For the model free analysis I'm using the pdb structure of the monomer (18KDa), and I might have wrong assigned resonances. I'm running relax 1.3.4 on 2 cores Intel(R) Core(TM)2 CPU, 6600 @ 2.4GHz, 4M cache, and 4G ram. Do you have any idea?. I'll appreciate any suggestion to follow with the analysis. Thanks Daniel Dr. Daniel Pérez Institut für Molekularbiologie und Biophysik Schafmattstrasse 20 ETH-Hönggerberg, HPK G 5 CH-8093 Zürich Phone: +41 44 633 25 37 E-mail: [email protected] _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list [email protected] 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
