Chili for lipid bilayer

[Ntasha]

Dear Dr. Stoll,
I am trying to fit the X-band spectra of 1,2-Dimyristoyl-sn-glycero-3-phosphocholine (DMPC) membranes that contain various phosphatidylcholine (nPC) spin labels. The g values and A values are obtained from the rigid limit spectra, they should stay constant. I can vary the diffusion rate and angle of wobble in the cone imposed on the spin probe by the bilayer. Here is my structure
Nx =

g: [2.0086 2.0058 2.0020]
Nucs: '14N'
A: [13.7000 13.7000 96.4000]
logDiff: [8 8 8]
DiffFrame: [0.1745 0.1745 6.2832]
I figured that I would start with 10 degree wobble and the probe can spin 360 degrees around the long axis.
Here is my Vary stracture
Vary =

A: [5 5 5]
logDiff: [3 3 3]
DiffFrame: [0.1745 0.1745 0]
I keep A constant because these values should not change.
I want to know the wobble angle and rate. When I try to ran a fitting routine it returns errors. Also the spectra do not look anything like the experimental ones.

Can you please point me in the right direction.
Thank you,
Natalia

[Stefan Stoll]

Natalia, this forum is focused on the use of EasySpin and can not in general provide advice on research-related questions such as fitting a model to your data. The simple reason is that most likely nobody on the forum is an expert for your particular problem.