You should get different trajectories if the thermostat random number seed is different. If ig=-1, then the random number seed is chosen from the time-of-day, I believe. If you want to exactly reproduce a trajectory, then you'll need to manually set the value of ig in the &cntrl section. Normally one wants to use ig=-1, because one should run the simulation several times to estimate uncertainties in the simulation results due to the limited finite sampling.
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Received on Mon Sep 09 2024 - 12:00:02 PDT
