For both the relaxation and production runs, the temperature and pressure were held constant at 310 K and 1 bar, respectively. The pressure was held constant using a semiisotropic coupling. In Electrostatics were treated with the PME method [107] using a cutoff point of 1.2 nm while van der Waals interactions were truncated, smoothly switching the force to zero between 1.0 and 1.2 nm. The bonds involving hydrogen atoms were constrained using the LINCS algorithm [109].