temp coupling coefficients

From: Peter Jones (Peter.Jones-2_at_uts.edu.au)
Date: Tue Mar 02 2004 - 01:03:53 CST

Hi all,

just to re-ask some questions regarding temperature control which I
don't think have been answered (Satyavani Vemparala 25/2/04, Hyonseok
Hwang 24/2/04, Wei Fu 20/2/04, Hyonseok Hwang 9/2/04).

How does one decide what value to use for the langevin coupling
coefficient (0.1, 5, 10?), or what is an appropriate value?

Is there any relationship between the langevin coupling coefficient and
the temperature coupling coefficient in Berendsen's method?


Peter Jones

Peter Jones Ph.D.
Research Fellow
Department of Cell and Molecular Biology
University of Technology Sydney
Westbourne Street
Gore Hill N.S.W. 2065

Tel: 61-2-9514 4105
FAX: 61-2-9514 4026
email: Peter.Jones-2_at_uts.edu.au

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