Hi, If you have the CONV_LOOP flag set to 1, this approach should work without problem. The issue is simply the bug you identified and not this looping over all diffusion models.
Regards, Edward On 8/29/07, Douglas Kojetin <[EMAIL PROTECTED]> wrote: > Have you also tried looping over all of the DIFF_MODEL options in one > script, such as: > > """ > MODELS_TO_RUN = ['local_tm', 'sphere', 'prolate', 'oblate', 'ellipsoid'] > > for DIFF_MODEL in MODELS_TO_RUN: > > # execute the rest of the full_analysis protocol > > # The model-free models (do not change these unless absolutely > necessary). > MF_MODELS = ['m0', 'm1', 'm2', 'm3', 'm4', 'm5', 'm6', 'm7', 'm8', > 'm9'] > LOCAL_TM_MODELS = ['tm0', 'tm1', 'tm2', 'tm3', 'tm4', 'tm5', 'tm6', > 'tm7', 'tm8', 'tm9'] > > # The type of heteronucleus. > HETNUC = 'N' > > ...... > """ > > If so, can you post an example? I initially tried something like this, but > started seeing an error. So I dropped back down to a basic full_analysis.py > script, but saw the error I sent in a previous post. > > Thanks, > Doug > > > > On Aug 29, 2007, at 10:16 AM, Sebastien Morin wrote: > Hi all, > > I just tried, a couple of days ago, the CONV_LOOP = 1 option in the > full_analysis,py script. > > Strangely (as opposed to Douglas), it works well for me with different > DIFF_MODEL options. Also, I get the same exact results for differents rounds > of calculation/optimization (chi-squared, model convergence, etc). > > I used line 1.2 revision 3354. > > Cheers > > > > Séb > > _______________________________________________ relax (http://nmr-relax.com) This is the relax-users mailing list relax-users@gna.org 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
