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A common, avoidable source of error in molecular dynamics integrators.

Authors :
Lippert RA
Bowers KJ
Dror RO
Eastwood MP
Gregersen BA
Klepeis JL
Kolossvary I
Shaw DE
Source :
The Journal of chemical physics [J Chem Phys] 2007 Jan 28; Vol. 126 (4), pp. 046101.
Publication Year :
2007

Details

Language :
English
ISSN :
0021-9606
Volume :
126
Issue :
4
Database :
MEDLINE
Journal :
The Journal of chemical physics
Publication Type :
Editorial & Opinion
Accession number :
17286520
Full Text :
https://doi.org/10.1063/1.2431176