Adventures in Improving the Scaling and Accuracy of a Parallel Molecular Dynamics Program

Journal of Supercomputing

Volumn 11, Issue 3, 1997, Pages 255-278

  Crowley, Michael F ^a   Darden, Tom A ^b   Cheatham III, Thomas E ^c   Deerfield II, David W ^a  

^a PITTSBURGH SUPERCOMPUTING CENTER   (United States)

^b NATIONAL INSTITUTE OF ENVIRONMENTAL HEALTH SCIENCES   (United States)

^c NATIONAL INSTITUTES OF HEALTH   (United States)

Author keywords

Electrostatic; Ewald; Molecular dynamics; Parallel; PME; Simulation; T3E

Indexed keywords

BIOLOGICAL MATERIALS; COMPUTER SIMULATION; COMPUTER SOFTWARE; ELECTROSTATICS; MOLECULAR DYNAMICS; PARALLEL PROCESSING SYSTEMS;

PARTICLE MESH EWALD (PME) METHOD; SOFTWARE PACKAGE AMBER;

MEDICAL COMPUTING;

EID: 0031334264     PISSN: 09208542     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1007907925007     Document Type: Article

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