Systematic and statistical error in histogram-based free energy calculations

Journal of Computational Chemistry

Volumn 24, Issue 12, 2003, Pages 1437-1446

  Kobrak, Mark N ^a  

^a CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

Free energy; Molecular dynamics; Monte Carlo; WHAM umbrella sampling

Indexed keywords

COMPUTER SIMULATION; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROBABILITY DENSITY FUNCTION; SAMPLING;

DICRETIZATION; HISTOGRAM; STATISTICAL ERROR;

FREE ENERGY;

EID: 0042561885     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10313     Document Type: Article

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