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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 2024-09-13