• Citer

Research note: On the use of the nosé-hoover thermostat in the simulation of dynamic properties of a single chain molecule in solvent

par Pierleoni, Carlo ;Ryckaert, Jean-Paul
Référence Molecular Physics, 75, 3, page (731-737)
Publication Publié, 1992-02

Article révisé par les pairs

• Détails
• Contenu

Résumé :

A comparison between standard constant energy and Nosé-Hoover constant temperature molecular dynamics simulation for a single chain molecule in atomic solvent is presented. It is shown that such temperature control mechanism does not affect the dynamic properties of the chain. In particular the effect of hydrodynamic interactions on the chain relaxation is preserved in the Nosé-Hoover dynamics. © 1992 Taylor and Francis Ltd.