Hi Ed, Of course, I agree to close this bug report.
However, I really think that we should add a comment especially for model "m0" so the user doesn't need to worry for this warning message and can actually also spot when the warning message is justified... But as you said, this can just be a feature we want to add in the future and is in any way no bug in the moment. Sincerely, Seb Selon Edward d'Auvergne <[EMAIL PROTECTED]>, 16.04.2008: > Hi, > > Seb, now that the secondary problem of Monte Carlo simulation failure > has been shifted to bug # 11476 (https://gna.org/bugs/?11476) and this > problem solved, I think that this bug #11454 report could probably be > closed. Suppressing the optimisation warning message for model m0 > will be difficult and I have no easy solution at the moment. > Nevertheless, this could be now considered more as a feature than a > bug fix. So, unless you disagree, would you be able to close this > one? > > Cheers, > > Edward > > > > On Fri, Apr 11, 2008 at 6:33 PM, Edward d'Auvergne > <[EMAIL PROTECTED]> wrote: > > Hi, > > > > This secondary problem is quite severe. Could you create a new bug > > report for this one rather than have it attached to this report, and > > set the priority and severity to the maximal values? I would like to > > get this one fixed as soon as possible and to release a new version of > > relax with this fix, as there is a good chance that any user may > > randomly encounter the problem. Could you also attach enough > > information (truncated files, etc.) to the new report so I am able to > > replicate the bug? > > > > Cheers, > > > > Edward > > > > > > > > On Fri, Apr 11, 2008 at 6:12 PM, Sébastien Morin > > > > <[EMAIL PROTECTED]> wrote: > > > > > > > > > > Update of bug #11454 (project relax): > > > > > > Priority: 5 - Normal => 7 - High > > > > > > _______________________________________________________ > > > > > > Follow-up Comment #3: > > > > > > Hi, > > > > > > I had a look at some "final" run with 500 simulations and found out > > > something. > > > > > > The simulations are affected by this break of the minimise() function > when > > > encountering model "m0"... > > > > > > See, for example, errors for S2 for residues before residue 218 (for > which > > > "m0" was chosen) and after this residue. Before the residue, errors in > S2 are > > > fine, but after they are excessively small... > > > > > > > > > ============================== > > > ... > > > 216 val 1 error N m7 ... 0.031361478644779991 > > > 217 thr 1 error N m7 ... 0.038211292618960502 > > > 218 gly 1 error N m0 ... None > > > 219 asn 1 error N m1 ... 1.112698441354078e-15 > > > 220 leu 1 error N m3 ... > 3.2268254799268261e-15 > > > ... > > > ============================== > > > > > > If we have a look at some simulations, for example simulations 1, 2 and > 3 : > > > > > > ============================== > > > ... > > > 216 val 0 sim_1 N m7 ... 0.78494175630280139 > > > 217 thr 0 sim_1 N m7 ... 0.82059932724210649 > > > 218 gly 0 sim_1 N m0 ... None > > > 219 asn 0 sim_1 N m1 ... 0.9225077650606851 > > > 220 leu 0 sim_1 N m3 ... 0.84861925081698242 > > > ... > > > 216 val 1 sim_2 N m7 ... 0.81063701088779105 > > > 217 thr 1 sim_2 N m7 ... 0.8206973815627201 > > > 218 gly 1 sim_2 N m0 ... None > > > 219 asn 1 sim_2 N m1 ... 0.9225077650606851 > > > 220 leu 1 sim_2 N m3 ... 0.84861925081698242 > > > ... > > > 216 val 1 sim_3 N m7 ... 0.83600457272281326 > > > 217 thr 1 sim_3 N m7 ... 0.81752904637249857 > > > 218 gly 1 sim_3 N m0 ... None > > > 219 asn 1 sim_3 N m1 ... 0.9225077650606851 > > > 220 leu 1 sim_3 N m3 ... 0.84861925081698242 > > > ... > > > ============================== > > > > > > we see that simulated values vary for residues before 218 (with model > "m0"), > > > but never vary (obviously are not simulated) for residues following > this > > > first instance of model "m0" in the sequence. > > > > > > This is a serious bug. > > > > > > > > > > > > _______________________________________________________ > > > > > > Reply to this item at: > > > > > > <http://gna.org/bugs/?11454> > > > > > > _______________________________________________ > > > Message sent via/by Gna! > > > http://gna.org/ > > > > > > > > > > ------------------------ Sébastien Morin Étudiant M.Sc. Biochimie Laboratoire S. Gagné 3252 Pav. Marchand (Université Laval) Tél : (418) 656-2131 #4530 Fax : (418) 656-7176 e-mail : [EMAIL PROTECTED] _______________________________________________ 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
