Vectorizing a general purpose molecular dynamics simulation program

Olle Teleman; Bo Jönsson

doi:10.1002/jcc.540070108

Vectorizing a general purpose molecular dynamics simulation program

Journal of Computational Chemistry ◽

10.1002/jcc.540070108 ◽

1986 ◽

Vol 7 (1) ◽

pp. 58-66 ◽

Cited By ~ 83

Author(s):

Olle Teleman ◽

Bo Jönsson

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

General Purpose ◽

Dynamics Simulation ◽

Simulation Program

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MODYLAS: A highly parallelized general-purpose molecular dynamics simulation program

International Journal of Quantum Chemistry ◽

10.1002/qua.24841 ◽

2014 ◽

Vol 115 (5) ◽

pp. 342-348 ◽

Cited By ~ 3

Author(s):

Noriyuki Yoshii ◽

Yoshimichi Andoh ◽

Kazushi Fujimoto ◽

Hidekazu Kojima ◽

Atsushi Yamada ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

General Purpose ◽

Dynamics Simulation ◽

Simulation Program

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A general purpose parallel molecular dynamics simulation program

Computer Physics Communications ◽

10.1016/j.cpc.2005.12.002 ◽

2006 ◽

Vol 174 (7) ◽

pp. 560-568 ◽

Cited By ~ 16

Author(s):

Kwang Jin Oh ◽

Michael L. Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

General Purpose ◽

Dynamics Simulation ◽

Simulation Program ◽

Parallel Molecular Dynamics

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Development of massive multilevel molecular dynamics simulation program, platypus (PLATform for dYnamic protein unified simulation), for the elucidation of protein functions

Journal of Computational Chemistry ◽

10.1002/jcc.24318 ◽

2016 ◽

Vol 37 (12) ◽

pp. 1125-1132 ◽

Cited By ~ 5

Author(s):

Yu Takano ◽

Kazuto Nakata ◽

Yasushige Yonezawa ◽

Haruki Nakamura

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Program ◽

Protein Functions

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Molecular dynamics simulation program of order N for condensed-matter systems

Computer Physics Communications ◽

10.1016/0010-4655(90)90050-b ◽

1990 ◽

Vol 61 (3) ◽

pp. 361-373 ◽

Cited By ~ 3

Author(s):

Zbigniew A. Rycerz

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Condensed Matter ◽

Dynamics Simulation ◽

Simulation Program

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DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package

Journal of Molecular Graphics ◽

10.1016/s0263-7855(96)00043-4 ◽

1996 ◽

Vol 14 (3) ◽

pp. 136-141 ◽

Cited By ~ 1563

Author(s):

W. Smith ◽

T.R. Forester

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

General Purpose ◽

Dynamics Simulation ◽

Parallel Molecular Dynamics ◽

Simulation Package

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Parallel implementation of a molecular dynamics simulation program

1998 Winter Simulation Conference. Proceedings (Cat. No.98CH36274) ◽

10.1109/wsc.1998.745026 ◽

2002 ◽

Cited By ~ 1

Author(s):

A. Mink ◽

C. Bailly

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Parallel Implementation ◽

Dynamics Simulation ◽

Simulation Program

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mm_par2.0: An object-oriented molecular dynamics simulation program parallelized using a hierarchical scheme with MPI and OPENMP

Computer Physics Communications ◽

10.1016/j.cpc.2011.08.023 ◽

2012 ◽

Vol 183 (2) ◽

pp. 440-441 ◽

Cited By ~ 1

Author(s):

Kwang Jin Oh ◽

Ji Hoon Kang ◽

Hun Joo Myung

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Object Oriented ◽

Dynamics Simulation ◽

Simulation Program ◽

Hierarchical Scheme

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ORAC: A molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level

Journal of Computational Chemistry ◽

10.1002/jcc.21388 ◽

2009 ◽

pp. NA-NA ◽

Cited By ~ 18

Author(s):

Simone Marsili ◽

Giorgio Federico Signorini ◽

Riccardo Chelli ◽

Massimo Marchi ◽

Piero Procacci

Keyword(s):

Molecular Dynamics ◽

Free Energy ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Program ◽

Biomolecular Systems ◽

Energy Surfaces

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Molecular dynamics simulation program of order N for condensed matter

Computer Physics Communications ◽

10.1016/0010-4655(90)90079-g ◽

1990 ◽

Vol 60 (1) ◽

pp. 53-74 ◽

Cited By ~ 7

Author(s):

Zbigniew A. Rycerz ◽

Patrick W.M. Jacobs

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Condensed Matter ◽

Dynamics Simulation ◽

Simulation Program

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Moldy: a portable molecular dynamics simulation program for serial and parallel computers

Computer Physics Communications ◽

10.1016/s0010-4655(99)00496-8 ◽

2000 ◽

Vol 126 (3) ◽

pp. 310-329 ◽

Cited By ~ 218

Author(s):

Keith Refson

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Parallel Computers ◽

Dynamics Simulation ◽

Simulation Program

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