A Smooth-Particle Mesh Ewald Method for DL_POLY Molecular Dynamics Simulation Package on the Fujitsu VPP700

Journal of Computational Chemistry

Volumn 21, Issue 13, 2000, Pages 1187-1191

  Kholmurodov, Kholmirzo ^a,e   Smith, William ^b   Yasuoka, Kenji ^c   Darden, Tom ^d   Ebisuzaki, Toshikazu ^a  

^a INST OF PHYS AND CHEMICAL RESEARCH   (Japan)

^b DARESBURY LABORATORY   (United Kingdom)

^c KEIO UNIVERSITY   (Japan)

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

^e JOINT INSTITUTE FOR NUCLEAR RESEARCH   (Russian Federation)

Author keywords

DL_POLY code; Fast Fourier Transforms; Fujitsu vector machine; Molecular dynamics; Smooth particle mesh Ewald

Indexed keywords

EID: 0000473453     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/1096-987X(200010)21:13<1187::AID-JCC7>3.0.CO;2-7     Document Type: Article

References (9)

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