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Chemistry / Computational chemistry / Computational science / Constraint algorithm / Molecular dynamics
Date: 2010-09-27 16:06:44
Chemistry
Computational chemistry
Computational science
Constraint algorithm
Molecular dynamics

THE JOURNAL OF CHEMICAL PHYSICS 126, 046101 共2007兲 A common, avoidable source of error in molecular dynamics integrators Ross A. Lippert, Kevin J. Bowers, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen, John L

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