URL: <http://gna.org/bugs/?13744> Summary: relax fails to report convergence even though output files are identical Project: relax Submitted by: None Submitted on: Monday 06/22/2009 at 20:20 CEST Category: relax's source code Severity: 3 - Normal Priority: 5 - Normal Status: None Privacy: Public Assigned to: None Originator Name: Mikaela Originator Email: mikaela.stewart@xxxxxxxx Open/Closed: Open Discussion Lock: Any Release: 1.3.3 Operating System: GNU/Linux _______________________________________________________ Details: Hi! I am new to relax and I don't think this is a bug, but more likely a misunderstanding on my part. I am using full_analysis.py to run relax on my protein of interest and the 'sphere' run works great with convergence after 9 rounds, but when I run 'prolate' or 'oblate' it fails to report that the model has converged and stop looping. The results files in the opt directory for the last round is the same as the previous round. Doesn't this mean that the program has converged? Thank you for your help. Mikaela _______________________________________________________ Reply to this item at: <http://gna.org/bugs/?13744> _______________________________________________ Message sent via/by Gna! http://gna.org/