Ions were added by using gmx genion tool in the GROMACS software package . All simulations were performed with GROMACS version 2019.5 . Force field parameters were taken as in the CHARMM-GUI outputs; consequently, the Nbfix parameters (63) were used for ions. Simulations were performed with 2 fs time step and data saved every 10 ps. Temperature of 300 K was maintained with the Nosé-Hoover thermostat , and semi-isotropic Parrinello-Rahman barostat ( ) was used to control the pressure.