Please read the guidelines here.
This release corresponds to many changes to the Brownian rotational diffusion tensor.
It includes the shift to the geometric parameters:
[math] D_{iso} = \frac{1}{3} \left( D_x + D_y + D_z \right), \\ D_a = D_z - \frac{1}{2} \left( D_x + D_y \right) , \\ D_r = D_y - \frac{D_x}{2D_a} . [/math]
Numerous bugs in the old correlation time, weights, and direction cosine code ..→