cholestane spectrum with chili

[agennaro]

Hi,
I am currently using Chili in Easyspin to simulate nitroxide spin label spectra in biomembranes. Up to this moment I have been working with SASL, i.e. z- ordering nitroxides. But now I need to simulate Cholestane, which is a y-ordering nitroxide. Could you please give me a hint about where is the information of the angle/s that I should modify in this case?
Thanks,
Ana

[Stefan Stoll]

The ordering is given in Sys.lambda. The frame for the ordering potential is the same as the diffusion frame, which you can specify in Sys.Diffpa (as of EasySpin 4.5.5). So if you define tilt angles in Sys.Diffpa, then the ordering potential is tilted as well. The tilts are always relative to the molecular frame.

[agennaro]

Thank you, I will try as soon as possible!