Multiple Markov transition matrix method: Obtaining the stationary probability distribution from multiple simulations

Journal of Computational Chemistry

Volumn 30, Issue 12, 2009, Pages 1850-1858

  Sakuraba, Shun ^a   Kitao, Akio ^a,b  

^a UNIVERSITY OF TOKYO   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Markov transition matrix; Molecular dynamics; Potential of mean force

Indexed keywords

MARKOV TRANSITION MATRICES; MARKOV TRANSITION MATRIX; MOLECULAR DYNAMICS SIMULATIONS; NON EQUILIBRIUM TRAJECTORIES; NON-EQUILIBRIUM SIMULATIONS; POTENTIAL OF MEAN FORCE; UMBRELLA SAMPLING; WEIGHTED HISTOGRAM ANALYSIS METHOD;

BUTANE; LIQUEFIED PETROLEUM GAS; MOLECULAR DYNAMICS;

PROBABILITY DISTRIBUTIONS;

BUTANE; METENKEPHALIN;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ISOMERISM;

ALGORITHMS; BUTANES; COMPUTER SIMULATION; ENKEPHALIN, METHIONINE; ISOMERISM; MODELS, MOLECULAR;

EID: 68549130507     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21186     Document Type: Article

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