Molecular dynamics in a grid computing environment: experiences using DL_POLY_3 within the eMinerals escience project

M. T. Dove National Institute for Environmental eScience, Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UKCorrespondence[email protected]

L. A. Sullivan Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK

A. M. Walker Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK

R. P. Bruin Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK

T. O. H. White Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK

K. Trachenko Department of Earth Sciences, University of Cambridge, Downing Street, Cambridge, CB2 3EQ, UK

P. Murray-Rust Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK

I. T. Todorov CCLRC Daresbury Laboratory, Daresbury, Warrington, Cheshire, WA4 4AD, UK

R. P. Tyer CCLRC Daresbury Laboratory, Daresbury, Warrington, Cheshire, WA4 4AD, UK

P. A. Couch CCLRC Daresbury Laboratory, Daresbury, Warrington, Cheshire, WA4 4AD, UK

K. Kleese van Dam CCLRC Daresbury Laboratory, Daresbury, Warrington, Cheshire, WA4 4AD, UK

W. Smith CCLRC Daresbury Laboratory, Daresbury, Warrington, Cheshire, WA4 4AD, UK

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Molecular dynamics in a grid computing environment: experiences using DL_POLY_3 within the eMinerals escience project

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Molecular dynamics in a grid computing environment: experiences using DL_POLY_3 within the eMinerals escience project

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