EasySpin forum

Yes, here it is.

Sure, running the posted code as a matlab script gives the following comomand line output: Experimental settings: field sweep, mw frequency 9.4212 GHz field range (mT): min 289.01, max 389.01, center 339.01, width 100 using MD trajectory data Reference to non-existent field 'dihedrals'. Error in car...

Hello, I tried to use cardamom with the easyspin-6.0.0-dev.24 version with the scripts below, trying to calculate the EPR spectrum from a hindered Brownian diffusion model fitted to an MD trajectory and got the output Experimental settings: field sweep, mw frequency 9.4212 GHz field range (mT): min ...

Hello, in the documentation for lwpp it is noted, that for spin S > 1/2 this value leads to incorrect results. I want to simulate a quite simple system with pepper: S = 3/2, isotropic g-value g = 0.777, isotropic hyperfine coupling to 14N A(14N) = 31 MHz, axial zero field splitting parameter D = 57 ...