Inherent speedup limitations in multiple time step/particle mesh ewald algorithms

Journal of Computational Chemistry

Volumn 24, Issue 1, 2003, Pages 77-88

  Barash, Danny ^a   Yang, Linjing ^a   Qian, Xiaoliang ^a   Schlick, Tamar ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

AMBER program; Molecular dynamics; Multiple time steps; Particle mesh Ewald; Polymerase

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; DNA; ELECTROSTATICS; ENERGY CONSERVATION; MATHEMATICAL MODELS; PARTICLES (PARTICULATE MATTER); POLYNOMIALS;

MULTIPLE TIME STEP; PARTICLE MESH ENWALD METHOD; POLYMERASE;

MOLECULAR DYNAMICS;

DNA DIRECTED DNA POLYMERASE BETA;

ALGORITHM; ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; CONFORMATION; ELECTRICITY;

ALGORITHMS; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; DNA POLYMERASE BETA; ELECTROSTATICS; MODELS, MOLECULAR; MOLECULAR CONFORMATION;

EID: 0037439858     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10196     Document Type: Article

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