relax SVN archive

Molecular dynamics by NMR data analysis

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Commit [r24798] Maximize Restore History

Updated the frame order optimisation results for the CaM free rotor, pseudo-ellipse test data.

The optimisation in the frame_order.py is now of higher precision with the number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo simulations. The new
frame order representation files have been added to the repository, as well as the intermediate
state files.

Authored by: bugman 2014-07-29

Browse code at this revision

Parent: [r24797]

Child: [r24799]

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