mailRe: [bug #14886] mf_multimodel does not plot out any s2 values


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Posted by Edward d'Auvergne on December 14, 2009 - 13:18:
Hi Tiago,

Please don't be offended by the 'invalid' marking, this is just the
only technical category this fits into.  The fix for bug #14885
(https://gna.org/bugs/index.php?14885) should help as that solution
will remove the need for you to run mf_multimodel.py without
model-free optimisation.  Note that the results are meaningless as no
NH bond vectors have been loaded into the program.

Regards,

Edward



2009/12/14 Edward d  Auvergne <NO-REPLY.INVALID-ADDRESS@xxxxxxx>:

Update of bug #14886 (project relax):

                 Status:                    None => Invalid
            Assigned to:                    None => bugman
            Open/Closed:                    Open => Closed

   _______________________________________________________

Follow-up Comment #1:

This bug has been marked as invalid because the behaviour is what should
happen.  No model-free parameters have been optimised or set, so the file of
S2 values just looks like:


# mol_name res_num    res_name   spin_num   spin_name  value
error
None       1          A          None       None                       None
             None
None       2          T          None       None                       None
             None
None       3          S          None       None                       None
             None
None       4          T          None       None                       None
             None
...


The final save state contains the optimised diffusion tensor but no
model-free results.  This again is the expected program behaviour.

   _______________________________________________________

Reply to this item at:

 <http://gna.org/bugs/?14886>

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