A large scale molecular dynamics simulation code using the fast multipole algorithm (FMD): Performance and application

Journal of Molecular Graphics and Modelling

Volumn 21, Issue 2, 2002, Pages 89-99

  Lupo, James A ^a   Wang, Zhiqiang ^a   McKenney, Alan M ^a   Pachter, Ruth ^a   Mattson, William ^b  

^a AIR FORCE RESEARCH LABORATORY   (United States)

^b University of Illinois at Urbana Champaign   (United States)

Author keywords

Fast multipole algorithm; Liquid crystalline cluster; Molecular dynamics

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; ELECTROSTATICS; MOLECULAR DYNAMICS;

ELECTROSTATIC FORCES; PERFORMANCE TESTING;

MOLECULAR GRAPHICS;

PROTEIN; LIQUID CRYSTAL POLYMER; POLYMER;

ALGORITHM; ARTICLE; ATOM; CALCULATION; ELECTRICITY; ENERGY; LIQUID CRYSTAL; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; SIMULATION; CHEMICAL STRUCTURE; COMPARATIVE STUDY; COMPUTER; COMPUTER SIMULATION; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; COMPUTER SIMULATION; COMPUTERS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; POLYMERS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0036774869     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(02)00125-0     Document Type: Article

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