Interfacing with other programs

relax can create the input files, execute in-line, and then read the output of the following programs. These programs can be used as optimisation engines replacing the minimisation algorithms built into relax:

Partial support for relaxation dispersion software has been implemented as well, including Catia, CPMGFit, NESSY, and ShereKhan.



The relax user manual (PDF), created 2019-06-14.