Hi,
Hmmmm... I haven't seen this one before either. Is this error from
relax 1.2 release or the repository copy? The easiest for me to fix the
problem would be if you could create a detailed bug report, and attach a
save state file from between the monte_carlo.initial_values() and the
minimise() user functions.
Cheers,
Edward
On Sat, 2007-11-17 at 12:44 -0500, Douglas Kojetin wrote:
> Hi,
>
> I am running the final optimization for the full_analysis.py
> protocol, and the minimize call is reporting something I've never
> encountered before:
>
> ...snip
> The model from the run 'ellipsoid' has been selected.
>
> relax> fix(run='final', element='diff', fixed=1)
>
> relax> monte_carlo.setup(run='final', number=200)
>
> relax> monte_carlo.create_data(run='final', method='back_calc')
>
> relax> monte_carlo.initial_values(run='final')
>
> relax> minimise(*args=('newton',), run='final', func_tol=1e-25,
> max_iterations=10000000, constraints=1, scaling=1, print_flag=1)
> Simulation 1
> The constraints have been incorrectly supplied.
> Simulation 2
> The constraints have been incorrectly supplied.
> Simulation 3
> The constraints have been incorrectly supplied.
> Simulation 4
> The constraints have been incorrectly supplied.
> Simulation 5
>
> Script execution cancelled.
>
> Any ideas?
>
> Thanks,
>
> Doug
>
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