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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes
Author(s):
J-P. Ryckaert
,
G. Ciccotti
,
HJC BERENDSEN
,
J. P. Ryckaert
,
HJC Berendsen
Publication date:
1977
Journal:
J Comput Phys
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Numerical Algebra, Matrix Theory, Differential-Algebraic Equations, and Control Theory
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