Section 3. Production stage

Video 1. Section 2 summarized into a 1 minute video. For a detailed explanation, follow the tutorial below.

3.1 Running long term dynamics. This stage consists of running a simulation without any energy or temperature control because the particles have already reached equilibrium positions and the system properties remain constant over time. It is used to take measurements (e.g., transport properties) as it best represents the nature of the dynamics of the system. This stage is usually called the Production stage. We are going to run this stage for a time (\(\tau_{prod}\)): $$\tau_{prod}\approx {10\tau}_{eq}\approx 500 ps,$$ where \(\tau_{eq}\) is the equilibration time. Note that these times vary from system to system, and they are also changed to keep this tutorial short. To obtain more conservative measurements, it is recommended to extend the length of the simulations.
Before running the simulation, make sure you change the length of the simulation to '500' and make sure you leave the Number of simulations to run in series input box empty (or set to 1). The custom Python code will not be executed if the number of simulations to be run is equal to 1. After the simulation finishes, make sure that the system temperature is still around 85 K before proceeding into Section 4.