langevin coupling coefficient

From: Hyonseok Hwang (
Date: Mon Feb 23 2004 - 14:39:47 CST

Dear all,

Now I'm using the Berendesen's method as a temperature control method,
and in that method the coupling coefficient number I'm using is 2.5
(1/0.4ps). Then, if I'm going to switch the Langevin dynamics method as
a temperature control method, what's langevin coupling
coefficient(langevinDamping) equivalent to the 2.5 in the
Berendesen's method? Do I have to use 2.5 in the Lavegin dynamics
method, too?

Thank you in advance.


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