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[r2170] by edward

Massive bug fix!!!

Caught the bug causing problems with Newton minimisation of the diffusion parameters together with
the model-free parameters. The scaling matrix was not being constructed properly! Only the first
residue's parameters were being scaled 'index = 0', all the rest were unscaled. The bug was because
the model-free specific minimise function was passing in the index of zero rather than None!!!

2005-10-21 14:13:44 Tree
[r2169] by edward

Changed the global default line search algorithm from More and Thuente to Backtracking.

2005-10-21 09:47:39 Tree
[r2168] by edward

Monte Carlo simulations in the full analysis sample script have been fixed up.

Previously each simulation was a global optimisation, now only the model-free parameters are being
optimised. Otherwise the error analysis on a full protein would take way too long (feedback from
Chris MacRaild). The errors are now slightly underestimated as the diffusion tensor has no errors,
but the speed is much more important.

2005-10-21 07:14:38 Tree
[r2167] by edward

Added a hint to the full analysis sample script.

2005-10-21 07:07:16 Tree
[r2166] by edward

Bug fix:

Fixed a bug which manifested itself in the full analysis sample script when optimising the diffusion
tensor after reading in the local tm results. The bug was in the add_residue function of the
relaxation data specific functions class and was because the 'data.noe_r1_table' data structure was
not being properly created.

2005-10-21 06:55:35 Tree
[r2165] by edward

Really fixed a bug in the full analysis sample script this time.

2005-10-21 05:38:50 Tree
[r2164] by edward

Fixed a bug in the full analysis sample script.

2005-10-21 05:31:13 Tree
[r2163] by edward

Shrinking of the EPS dependencies figure of the manual from 11Mb to 230kb.

2005-10-18 14:01:43 Tree
[r2162] by edward

Modified the Acknowledgement section of the manual.

2005-10-18 13:41:49 Tree
[r2161] by edward

Spell check of the user function docstrings.

This was done by checking the automatically generated LaTeX file for the manual.
A few fixes to the docstrings were also found.

2005-10-17 13:22:42 Tree
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