A common, avoidable source of error in molecular dynamics integrators
J Chem Phys
.
2007 Jan 28;126(4):046101.
doi: 10.1063/1.2431176.
Authors
Ross A Lippert
,
Kevin J Bowers
,
Ron O Dror
,
Michael P Eastwood
,
Brent A Gregersen
,
John L Klepeis
,
Istvan Kolossvary
,
David E Shaw
PMID:
17286520
DOI:
10.1063/1.2431176
No abstract available
Publication types
Evaluation Study
Letter
MeSH terms
Algorithms*
Artifacts*
Computer Simulation*
Models, Chemical*
Models, Molecular*
Numerical Analysis, Computer-Assisted*