spin-spin interactions between multiple cofactors

[dimitriniks]

I was wondering if there was any way to simulate electron-electron spin coupling between systems that give rise to epr signals with very different linewidths. In our case we are dealing with a Mo-cofactor which seems to be coupled to an adjoining iron-sulfur cluster.

[Stefan Stoll]

If the linewidths are due to hyperfine broadening or other effects that can be specified in the Sys structure, then yes.

If you are intending to model the broadenings with Sys.lwpp, Sys.lw, Sys.Hstrain, then it is unfortunately not possible. These broadenings affect all lines similarly.