relax SVN archive

svn+ssh://bugman@.../svn/relax/branches/frame_order_cleanup

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r24731 | bugman | 2014-07-24 18:53:53 +0200 (Thu, 24 Jul 2014) | 3 lines

Converted the frame_order_free_start.py script to use the zooming grid search.
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r24732 | bugman | 2014-07-24 19:01:00 +0200 (Thu, 24 Jul 2014) | 5 lines

Added lots of calls to the time user function to the frame_order_free_start.py.

This will be used to fine tune the frame order analysis on a cluster.
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r24733 | bugman | 2014-07-25 09:03:18 +0200 (Fri, 25 Jul 2014) | 7 lines

Increased the default grid bounds for the pivot parameters of the frame order models.

The pivot point is now searched for in a 50 Angstrom box and the pivot displacement for the double
motion models from 10 to 60 Angstroms. These were originally a 20 Angstrom box and 10 to 50
Angstroms. The larger grid is possible when combined with the new zooming grid search.
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r24734 | bugman | 2014-07-25 09:32:15 +0200 (Fri, 25 Jul 2014) | 8 lines

Updated the frame order optimisation results for the 2-site CaM test data fitting to the rotor model.

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.
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r24735 | bugman | 2014-07-25 09:36:43 +0200 (Fri, 25 Jul 2014) | 8 lines

Updated the frame order optimisation results for the CaM rotor 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.
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r24754 | bugman | 2014-07-25 15:57:19 +0200 (Fri, 25 Jul 2014) | 8 lines

Updated the frame order optimisation results for the 2nd CaM rotor 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.
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