ON THE BERENDSEN THERMOSTAT

Authors
LEMAK AS BALABAEV NK
Citation
As. Lemak et Nk. Balabaev, ON THE BERENDSEN THERMOSTAT, Molecular simulation, 13(3), 1994, pp. 177-187
Citations number
5
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular simulation → ACNP
ISSN journal
08927022
Volume
13
Issue
3
Year of publication
1994
Pages
177 - 187
Database
ISI
SICI code
0892-7022(1994)13:3<177:OTBT>2.0.ZU;2-Y
Abstract
The behaviour of the total momentum of a system immersed in the Berend sen thermostat is analyzed. It has been found that under certain condi tions the kinetic energy of the system can be transformed from interna l degrees of freedom to the external ones, and conversely. A concrete example of such a transformation is presented. The results of molecula r dynamics simulations of the Fe4S4(SH)4 complex coupled to different external heat baths are discussed.