damping. Long-range electrostatic interactions were calculated with particle mesh Ewald (PME) grid with 1.2 Å spacing. LJ correction is applied to improve energy conservation during switching. The energy levels were minimized in 1000 steps using NAMD version 2.14. The system was then allowed to equilibrate for 50 ps in NVT ensemble and afterwards it was allowed to equilibrate on NPT ensemble for 10 ns with margin 10 to allow simulation box adjustment. Production simulations were carried out on NAMD version 3.0alpha9 for 1000 ns with the default margin.