Dynamical models of molecular chains and efficient integration algorithms

Chains of point masses and chains of rigid bodies are used to model biological polymers. To investigate their dynamics we propose a method which allows an efficient realization of the constraints jointly with a simple and accurate integration of the free rigid body motion. The method is quite effect...

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Vydané v:	Communications in nonlinear science & numerical simulation Ročník 14; číslo 2; s. 593 - 612
Hlavní autori:	Bazzani, Armando, Benedetti, Carlo, Rambaldi, Sandro, Rossi, Luca, Turchetti, Giorgio
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Elsevier B.V 01.02.2009
Predmet:	Algorithms Biological Computer simulation Flipping rule Hard springs Mathematical models Molecular chains Nonlinear dynamics Rigid-body dynamics Rigidity constraints Runge-Kutta method Runge–Kutta Thermal baths Runge–Kutta 45.40.−f Rigidity constraints Flipping rule 07.05.Tp Hard springs 02.60.Lj 36.20.Fz Molecular chains
ISSN:	1007-5704, 1878-7274
On-line prístup:	Získať plný text
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