An improved method for nonbonded list generation: Rapid determination of near-neighbor pairs

Journal of Computational Chemistry

Volumn 24, Issue 2, 2003, Pages 222-231

  Petrella, Robert J ^a   Andricioaei, Ioan ^a   Brooks, Bernard R ^c   Karplus, Martin ^a,b  

^a HARVARD UNIVERSITY   (United States)

^b UNIVERSITÉ DE STRASBOURG   (France)

^c NONE

Author keywords

Cutoff distance; Energy calculations; Molecular dynamics; Neighborlist; Nonbonded list; Pair distribution

Indexed keywords

ALGORITHMS; ATOMS; CHEMICAL BONDS; COMPUTER SIMULATION; MONTE CARLO METHODS;

ENERGY CALCULATION; ENERGY DERIVATIVES; PAIR DISTRIBUTION;

MOLECULAR DYNAMICS;

ALGORITHM; ARTICLE; COMPARATIVE STUDY; COMPUTER SIMULATION; THEORETICAL MODEL;

ALGORITHMS; COMPUTER SIMULATION; MODELS, THEORETICAL;

EID: 0037472759     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10123     Document Type: Article

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