Error and efficiency of simulated tempering simulations

Journal of Chemical Physics

Volumn 132, Issue 3, 2010, Pages

  Rosta, Edina ^a   Hummer, Gerhard ^a  

^a NATIONAL INSTITUTE OF DIABETES AND DIGESTIVE AND KIDNEY DISEASES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTICAL EXPRESSIONS; EFFICIENCY GAIN; INTERCONVERSIONS; MAXIMUM EFFICIENCY; MC SIMULATION; META-STABLE STATE; MONTE CARLO SIMULATIONS; MULTI STATE; OPTIMAL CHOICE; QUANTITATIVE AGREEMENT; REACTIVE FLUX; RELATIVE GAINS; REPLICA EXCHANGE; SIMULATED TEMPERING; SIMULATION PARAMETERS; TEMPERATURE CHANGES; TWO-DIMENSIONAL ISING MODEL; TWO-STATE; TWO-STATE TRANSITIONS;

COMPUTATIONAL EFFICIENCY; ISING MODEL; LINEAR TRANSFORMATIONS; MOLECULAR DYNAMICS; RESPIRATORY MECHANICS; TEMPERING;

COMPUTER SIMULATION;

ARTICLE; CONFORMATION; MOLECULAR DYNAMICS; MONTE CARLO METHOD; TEMPERATURE;

MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; MONTE CARLO METHOD; TEMPERATURE;

EID: 77949884492     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3290767     Document Type: Article

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