Dear all,
I have a very basic query regarding the temperatures of a simulation. Is it possible to use two different temperatures in a single mdp file one for generating velocities and one for ref-T of the thermostat? Can we use a setting where:
ref-t = 298, but gen-temp = 300. Thanks
Yes.
I don’t see why you would want a difference of less than 1% though. But after a few tau_t (a few ps) the difference is unnoticeable in practice.
Okay, I was following a tutorial and was thinking if there is any significance to this type of setup. Thank you for your reply.