In the following, we present a MD simulation protocol for polymer electrolyte systems (GroPoB, github.com/Teoroo-CMC/GroPoB) and investigate the impact of annealing methods on the determination of T g . The flowchart of computational protocol, from constructing the polymer electrolyte simulation box to executing the MD simulations, is depicted in Fig. . The MD protocol for equilibrating the initial configurations commenced with an energy minimization step utilizing the steepest descent algorithm. This was followed by an NVT (constant number, volume, and temperature) ensemble at 400 K for 10 ns to stabilize the temperature and, subsequently, an NPT (constant number, pressure, and temperature) ensemble for 10 ns, during which the temperature varied from 400 to 1000 K and then returned to 400 K to ensure the polymer systems attained complete amorphousness. A 10 ns NPT run was conducted at the desired temperature (400 K) to stabilize the density.