[gmx-users] (no subject)

[w.j.schravendijk at students.pharm.uu.nl]

According to the manual, the constants should be 5 times as high as the
berendsen tau_t would be (note that both tau_t's represent different
things) If you had 0.1 for berendsen it should be 0.5 with nose-hoover.

The same is valid for the Parinello-Rahman pressure coupling... ( 1 for
berendsen tau_p would be 5 with Parinello-Rahman)

Greetings, Pim

On Sun, 10 Mar 2002, David van der Spoel wrote:

> On Sun, 10 Mar 2002, Atom News wrote:
>
> >
> >Hi all,
> >
> >I simulate the protein in water. I would like to use the Nose-Hoover scheme.
> >However I do not know the value of the temperature time coupling tau_t. Can
> >anyone offer a help? Thank you.
> I don't know off hand either, but it's in the manual. You can probably use
> the same values.
>
> >John.
> >
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> Groeten, David.
> ________________________________________________________________________
> Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
> Husargatan 3, Box 576,  	75123 Uppsala, Sweden
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