Abstract
We present microcanonical replica exchange molecular dynamics simulations as an alternative to canonical ones. Its advantage is the easily tunable high acceptance rate for replica exchange. We present the theory, comment on its actual implementation, and demonstrate its application for a common test case, the trp-cage protein.
4 More- Received 17 September 2009
DOI:https://doi.org/10.1103/PhysRevE.80.056703
©2009 American Physical Society