relax SVN archive

Added Monte Carlo simulations to the second rotor frame order model testing script.

This is to check that the PyMOL representations are correct, as this cannot be done in a system
test.

Monte Carlo simulations are now implemented for the frame order analysis.

Eliminated one of the eigenframe parameters from the rotor frame order model.

In the rotor frame order model, the x and y axes of the eigenframe of the motion are not defined.
Therefore the 3 eigenframe Euler angles have been replaced by 2 spherical angles defining the
rotation axis. This removes a lot of optimisation issues with this model.

Fixes for the rotor frame order system test data.

The first structure of the distribution was missing!

The frame order torsion angle cone_sigma_max is now forced to be positive.

Optimisation sometimes comes up with the negative of the angle, as both the negative and positive
angles give the same result, so now the angle is always unpacked after optimisation as the absolute
value.

Fixes for the test data committed previously (r14954).

Created a frame order test model for the rotor model when there are only two states.

Created the Frame_order.test_cam_rotor system test.

This is the rotor model with the rotation axis being the pivot-CoM vector.

Created a frame order rotor test model whereby the rotation axis is the pivot-CoM vector.

The rotation is a total of 60 degrees about the pivot-CoM vector.

Added a check to prevent the frame order grid search from being too big causing out of memory errors.