Simultaneous Refinement with H$_2$O and D$_2$O Spectra

The example file below shows how to set up the relaxation matrix calculations when data from different solvents are used. For the D$_2$O spectrum, only nonexchangeable protons are selected; for the H$_2$O spectrum, the occupancy of the exchangeable protons is set to 0.9.

multiplesolvent.inp



Xplor-NIH 2023-11-10