Infinite swapping replica exchange molecular dynamics leads to a simple simulation patch using mixture potentials
Infinite swapping replica exchange molecular dynamics leads to a simple simulation patch using mixture potentials
Replica exchange molecular dynamics (REMD) becomes more efficient as the frequency of swap between the temperatures is increased. Recently Plattner et al. [J. Chem. Phys. 135, 134111 (2011)10.1063/1.3643325] proposed a method to implement infinite swapping REMD in practice. Here we introduce a natural modification of this method that involves molecular …