All simulations were performed using Gromacs versions 2021.1, 2021.5, and 2022.2. Parameters from AmberTools were converted to Gromacs format using ACEPYPE. Standard CHARMM-GUI equilibration procedure was used for all systems with the initial structure generated using CHARMM-GUI. Replicas and other simulations initiated from already equilibrated configurations were started using randomly generated velocities without any further equilibration. Energy for Amber simulations with initial structures from CHARMM simulations were minimized before starting the simulation whenever required.