For simulations with Amber parameter, the timestep of 2 fs was used, the temperature was coupled using v-rescale thermostat, the pressure was set to 1 bar using isotropic Parrinel-loâĂŞRahman barostat, PME was used to calculate electrostatic interactions at distances longer than 1.0 nm, and Lennard-Jones interactions were cut off at 1.0 nm.