Post date: Jul 19, 2013 7:43:33 AM
"Hamiltonian replica-exchange in GROMACS: a flexible implementation," by G. Bussi, has been accepted for publication on Mol. Phys.. In this work we present an implementation of Hamiltonian replica exchange which can be used to perform solute tempering on selected portions of a molecule. The method is tested on an RNA tetraloop.