Simulating molecules under different temperature conditions

[tmduque]

Dear Spinach team

I'm a physicist who just started learning on the wide field of NMR . I was wondering if there's a parameter regarding temperature (the sample temperature, basically) in liquid state simulations. I would like to see the dependance of a few couplings of a molecule of interest of mine on several different temperatures. I consulted the Wiki and I couldn't find much information regarding temperature.

Sorry in advance if this was a trivial question.

[kuprov]

Temperature dependence of Hamiltonian parameters is an electronic structure theory problem. A spin dynamics package is not the right tool.