Edward d'Auvergne

Hi Paola, Have you tried running the analysis again? If there is still an issue, could you please list your steps? The error you are seeing has never been encountered before by relax users. The "IDR_bundle" is the name of your "pipe bundle" that stores all of your data. It is created at the new analysis wizard stage. The fact that it is missing is worrying. Have you done anything between the new analysis wizard and hitting the run button which could have changed the name? Regards, Edward

Merge branch 'master' into gh-pages

Link fix to the manual from the download page.

4-State ligand binding - relaxation dispersion analysis

As for the approximation of the on-rates being the same, this could be a requirement to avoid over-fitting. You should look that up. Does the Li et al. paper make similar assumptions? The problem with the 3+ site models is that there are often too many parameters and the optimised result is complete nonsense that has absolutely nothing to do with reality. So you have to make assumptions to create a parametrised model that will give a result grounded in reality.

Hi! I've had a look at the paper you linked to, and am a bit confused. Equation 3 does not match the Carver and Richards 1972 equation A3. In relax we have implemented the exact CR72 equations. I guess this is a typo mistake in the Stenström et al. paper. Do you think it is possible to fit the original CR72 model and then back-calculate the kon, ρoff, and ρclose values? From a quick reading of the paper, they are fitting the original CR72 model but with parameters derived from the originals. Then...

Release checklist: More modernisations and version number changes.

Merge branch 'master' into gh-pages