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/ > > > > > _______________________________________________ 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
