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Volumn 13, Issue 3, 1994, Pages 177-187

On the berendsen thermostat

Author keywords

Berendsen thermostat; collisional dynamics; heat bath; Molecular dynamics

Indexed keywords

COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); IRON COMPOUNDS; KINETIC THEORY; STATISTICAL MECHANICS; THERMOSTATS;

EID: 0028697725     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927029408021981     Document Type: Article
Times cited : (159)

References (6)
  • 2
    • 85075943995 scopus 로고
    • Molecular dynamics simulation of Ferredoxin in different electronic states
    • Jouko E.I. Korppi-Tommola, Editor, Proc. SPIE
    • N.K. Balabaev, A.S. Lemak, “Molecular dynamics simulation of Ferredoxin in different electronic states”, Laser Spectroscopy of Biomolecules, Jouko E.I. Korppi-Tommola, Editor, Proc. SPIE 1921, p. 375-385, (1993).
    • (1993) Laser Spectroscopy of Biomolecules , pp. 375-385
    • Balabaev, N.K.1    Lemak, A.S.2
  • 4
    • 36749107785 scopus 로고
    • Molecular dynamics simulations at constant pressure and/or temperature
    • H.C. Andersen, “Molecular dynamics simulations at constant pressure and/or temperature”, J. Chem. Phys., 72, 2384, (1980).
    • (1980) J. Chem. Phys. , vol.72 , pp. 2384
    • Andersen, H.C.1
  • 5
    • 0038132969 scopus 로고
    • Handbook of Stochastic Methods for Physics
    • Springer-Verlag, Berlin
    • C.W. Gardiner, Handbook of Stochastic Methods for Physics, Chemistry, and Natural Sciences, Springer-Verlag, Berlin, (1985).
    • (1985) Chemistry, and Natural Sciences
    • Gardiner, C.W.1
  • 6
    • 84949609080 scopus 로고    scopus 로고
    • As noted by a referee of this article, the effect that total momentum is not conserved in WCEB simulations has been noted by others who use this method.
    • The simple recipe to avoid this is built into the GROMOS program package: reset the center of mass velocity to zero, either each step or at regular intervals
    • As noted by a referee of this article, the effect that total momentum is not conserved in WCEB simulations has been noted by others who use this method. The simple recipe to avoid this is built into the GROMOS program package: reset the center of mass velocity to zero, either each step or at regular intervals.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.