[bug #13744] relax fails to report convergence even though output files are identical -- June 22, 2009 - 20:39

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

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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




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