Edward, Thank you, the "angle_units='rad'" statement does the trick. I found a small reduction of Chi2 with CSA = -160 ppm, but the values are close to the analysis with -172 ppm. If the latter is more preferable in terms of convergence, I will be using it.
Vitaly On Tue, Jan 24, 2012 at 03:09, Edward d Auvergne <[email protected]> wrote: > > Update of bug #19323 (project relax): > > Status: In Progress => Need Info > > _______________________________________________________ > > Follow-up Comment #2: > > Vitaly, could you try using the argument angle_units='rad' for the > diffusion_tensor.init user function and see if the problem still exists? > > _______________________________________________________ > > Reply to this item at: > > <http://gna.org/bugs/?19323> > > _______________________________________________ > 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
