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
