Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 134, Issue 4, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3533236
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Funding
- National Science Foundation (NSF) [CHE-0809002]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [0809002] Funding Source: National Science Foundation
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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. (C) 2011 American Institute of Physics. [doi:10.1063/1.3533236]
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