Hi, I've seen this problem before and thought I fixed by checking if the spin is selected and if Rex is a parameter of the model (in which case 'spin.frq[0]' must exist). Having a look at the save file 'state1.save.bz2' that was attached to this report, the problem appears to have originated earlier. The residues Arg 6 and Lys 9 are the problems. These spins are both selected, yet do not contain any relaxation data related info (all entries between the 'num_frq' to 'relax_error' tags, including 'frq'). They should have been deselected. I have now added a function to perform this spin deselection identical to the one used when relax performs model-free analysis. Would you be able to test this again, starting from the creation of the Modelfree4 input files? Cheers, Edward 2009/10/5 Sébastien Morin <NO-REPLY.INVALID-ADDRESS@xxxxxxx>:
Update of bug #14428 (project relax): Status: None => Confirmed _______________________________________________________ Follow-up Comment #1: The problem happens for both models 'm3' (as stated by Pierre-Yves) and 'm4'. In both cases, the problem is related to line 692 of the file 'generic_fns/palmer.py': spin.rex = spin.rex / (2.0 * pi * spin.frq[0])**2 The frequency parameter 'spin.frq[0]' seems to create this problem. [Please find attached tar file to reproduce the problem. This tar file contains a directory in which stage 1 has been performed for model 'm3' on the small dataset. The script 'palmer.py' is ready to be used to perform stage 2 and will fail with the error message originally posted by Pierre-Yves, complaining about line 692 of 'generic_fns/palmer.py'.] (file #6888) _______________________________________________________ Additional Item Attachment: File name: relax_bug_14428.tar Size:40 KB _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?14428> _______________________________________________ Message sent via/by Gna! http://gna.org/ _______________________________________________ relax (http://nmr-relax.com) This is the relax-devel mailing list relax-devel@xxxxxxx 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