A common, avoidable source of error in molecular dynamics integrators.
Lippert
Ross A
RA
Bowers
Kevin J
KJ
Dror
Ron O
RO
Eastwood
Michael P
MP
Gregersen
Brent A
BA
Klepeis
John L
JL
Kolossvary
Istvan
I
Shaw
David E
DE
D000465:Algorithms; D016477:Artifacts; D003198:Computer Simulation; D008956:Models, Chemical; D008958:Models, Molecular; D009716:Numerical Analysis, Computer-Assisted