Reversibility of free energy simulations: Slow growth may have a unique advantage. (With a note on use of Ewald summation)

Molecular Simulation

Volumn 28, Issue 1-2, 2002, Pages 67-80

  Hu, Hao ^a   Yun, R H ^a   Hermans, Jan ^a  

^a UNIVERSITY OF NORTH CAROLINA SCHOOL OF MEDICINE   (United States)

Author keywords

Accuracy; Ewald summation; Free energy; Integration method; Molecular dynamics; Slow growth

Indexed keywords

COMPUTER SIMULATION; ERROR ANALYSIS; GROWTH KINETICS; MOLECULAR DYNAMICS; PARAMETER ESTIMATION; STATISTICAL METHODS; THERMODYNAMICS;

ACCURACY; BOLTZMANN EXPONENTIAL; EWALD SUMMATION; INTEGRATION METHOD; INTEGRATION TIME; SLOW GROWTH;

FREE ENERGY;

EID: 0042531222     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020211971     Document Type: Review

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