Skip to main content
. Author manuscript; available in PMC: 2016 Apr 4.
Published in final edited form as: J Phys Chem B. 2007 Feb 15;111(10):2415–2418. doi: 10.1021/jp068335b

Figure 3.

Figure 3

Fraction of native hairpin conformation as a function of time at 350K for four REMD simulations. Black: standard REMD; red: REMD with non-Boltzmann reservoir and standard exchange probability (eq. 3); blue: REMD with non-Boltzmann reservoir and modified exchange probability (eq. 4); green: REMD with Boltzmann reservoir and standard exchange probability (eq. 3). It is apparent that the simulations employing the reservoir reach a plateau value much more rapidly than standard REMD and that the non-Boltzmann reservoir requires modified exchange probability.