arger the rotational basis.<br>
If this field is not specified, <code>chili</code> uses a default basis. This is adequate only for common X-band spectra of nitroxides. In general, the basis needs to be larger for slower motions and can be smaller for faster motions. It is strongly advised to increase these four numbers until the simulated spectrum is converged. One approach is to start from <code>[2 0 0 0]</code> and increase each of the four numbers in turn, run the simulation, and see if the spectrum chan