EasySpin forum

Hello,

I am trying to simulate an EDNMR spectrum from a heterobimetallic protein sample in D2O. Since the sample was prepared in 30% glycerol, I assumed that there is 22% (1H/2H) of exchangeable protons available from glycerol. When I put two spin systems (for exchangeable and not exchangeable protons with different weights) in the EDNMR script, I got these error messages:

Error using orisel
Spin system must be a structure.

Error in EDNMR (line 40)
oriselWeight = orisel(Sys,Exp,Opt);

Error in YL230703_multifield_Q_EDNMR_Y175FoxD2O_2Hsim (line 142)
[x1LF,y1LF] = EDNMR({Sys1,Sys2},Exp,Opt);

Could anyone give me some advice on how to resolve this issue? Thank you!

It looks like the script (unlike most Easyspin functions) does not support the simultaneous simulation of two systems. Run the script with each system separately, and add the results.