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 Date: 2010-09-27 16:06:44Chemistry Computational chemistry Computational science Constraint algorithm Molecular dynamics |
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| First Page | Document Content | |
|---|---|---|
Date: 2010-09-27 16:06:44Chemistry Computational chemistry Computational science Constraint algorithm Molecular dynamics |
Add to Reading List |
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