Trusted, Bureaucrats
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edits
Changes
→Bugfixes: Copied the bugfix list from the CHANGES file.
<section begin=bugfixes/>
* Fix for bug #24723 (https://gna.org/bugs/?24723). This is the bug that the mean RMSD from the structure.rmsd user function is incorrectly calculated - it should be a quadratic mean. The quadratic mean and quadratic standard deviation are now correctly calculated, and the structure.test_rmsd, structure.test_rmsd_molecules, and structure.test_rmsd_ubi system tests have been updated for the fix.
* Bug fix for the inversion recovery equations (sr #3345). The inversion recovery experiment was incorrectly implemented as I(t) = Iinf - I0 * exp(-R1 * t) whereas it should be I(t) = Iinf - (Iinf - I0) * exp(-R1 * t).
<section end=bugfixes/>