| Literature DB >> 20365092 |
Parimal Kar1, Walter Nadler, Ulrich H E Hansmann.
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.Entities:
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Year: 2009 PMID： 20365092 DOI： 10.1103/PhysRevE.80.056703
Source DB: PubMed Journal: Phys Rev E Stat Nonlin Soft Matter Phys ISSN： 1539-3755