Thanks Edward for your information. I am only familar with modelfree and just started to use relax since when I run modelfree using axially symetric models and got some problems. I only have data in 600 MHz and should only fit m0, m1-m5 and m9 in this case. I have tried to run modsel.py using these models, still error occurred as I posted previsouly. Not sure how to fix the problem.
Best wishes, Hongyan Quoting Edward d'Auvergne <[EMAIL PROTECTED]>: > Hi Hongyan, > > Chris MacRaild has replicated your problem and has created a bug > report for you at https://gna.org/bugs/?8059. I hope you don't mind > -- I have added your email address to the CC list for bug #8056 so > that you are kept informed on how the bug is progressing. > > The use of models m1 to m5 is for when you have collected the R1, R2, > and NOE at a single field strength, i.e. you have 3 data points per > spin system. Models m1 to m5 have a maximum of 3 parameters hence can > be optimised and the resultant parameter values are statistically > meaningful. The other models, m6 to m8, have been extensively used in > the literature when relaxation data at two or more field strengths > have been collected. For example see: > > Korzhnev et al., Prog. NMR Spectorsc., 2001, 38(3), 197-266. > Fushman et al., JMB, 1997, 266(1), 173-194. > Orekhov et al., JBNMR, 1999, 14(4), 345-356. > Zhuravleva et al., JMB, 2004, 342(5), 1599-1611. > > Model m6 is specifically the full Clore et al., JACS, 1990, 112(12), > 4989-4991 equation using all the extended model-free equation > parameters (S2f, tf, S2s, and ts). Model m7 and m8 are simply models > m5 and m6 with the Rex parameter added. The last two models m0 and m9 > are where there are no statistically significant internal motions on > the picosecond to nanosecond timescales (well, according to the > relaxation data). > > Cheers, > > Edward > > > On 12/19/06, Hongyan Li <[EMAIL PROTECTED]> wrote: > > Dear relax-users, > > I am a new user of relax, I have tried to run modelfree analysis and get > m0, m1, > > to m9 models when I cheked the results it seems m6,m7,m8 with no > parameters > > fitted and m9 with Rex fitted. I don't think there is m9 in modelfree. Can > we > > just fit m1,m2,m3,m4,and m5 as modelfree does? and when I run modsel.py > using > > sample scripts I got error and asked me to re-run with debug flag. By > typing > > relax --debug modsel.py and I got error again and it looks like that: > > > > relax> state.save(file='relax_state_20061912_124038', dir=None, force=0, > > compress_type=1) > > Opening the file 'relax_state_20061912_124038.bz2' for writing. > > Traceback (most recent call last): > > File "modsel.py", line 20, in ? > > eliminate() > > File "/data2/usr-local/relax-1.2.9/prompt/eliminate.py", line 97, in > > eliminate > > self.relax.generic.eliminate.eliminate(run=run, function=function, > > args=args) > > File "/data2/usr-local/relax-1.2.9/generic_fns/eliminate.py", line 56, > in > > eliminate > > for i in xrange(num_instances(self.run)): > > File "/data2/usr-local/relax-1.2.9/specific_fns/model_free.py", line > 2605, in > > num_instan > > ces > > raise RelaxFault > > RelaxFault: RelaxError: Impossible to be here, please re-run relax with > the > > '--debug' flag > > and summit a bug report at https://gna.org/projects/relax/. > > > > Does anybody know how to do modelselection? > > > > Very much appreciate any suggestion! > > > > Cheers! > > > > Hongyan > > > > > > > > _______________________________________________ > > relax (http://nmr-relax.com) > > > > This is the relax-devel 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-devel > > > Dr. Hongyan Li Department of Chemistry The University of Hong Kong Pokfulam Road Hong Kong _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel 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-devel
