@article {350, title = {Velocity scaling for optimizing replica exchange molecular dynamics}, journal = {The Journal of Chemical Physics}, volume = {134}, year = {2011}, pages = {044124}, publisher = {AIP}, abstract = {We discuss the use of velocity rescaling for generating rejection-free exchange moves in replica exchange molecular dynamics. We test the efficiency of this approach for a common test case, the trp-cage protein. Advantages and limitations of the approach are discussed and possible extensions outlined.}, keywords = {biological techniques, biology computing, molecular biophysics, Proteins, replica techniques}, doi = {10.1063/1.3533236}, url = {http://link.aip.org/link/?JCP/134/044124/1}, author = {Maksim Kouza and Ulrich H. E. Hansmann} }