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Hey! When specifying the basis set, Spinach gives an option for conserving the coherence order by setting the parameter bas.projections. I would like to preserve only the terms corresponding to zero-quantum coherence, so therefore I have specified: bas.projections = 0; The behavior to me is unexpect...

Hey! Continuing on the same topic, how would one deal with the concentrations using this approach when there is an excess of the ligand? Taking the reaction: Protein(free) + Ligand(free) <--> Protein-Ligand (bound) Let's say that in chemical equilibrium the concentrations are: Protein(free): 1 mM Li...

Thank you Prof. Kuprov for the kind response.

Dear SpinDynamics forum users, This question is related to the lecture "Spin Dynamics - Simulation design and coding, part II". In the lecture (around 45 minutes), it was shown that by taking small time steps the propagator matrix becomes sparse which speeds up the calculations significant...