On May 3, 2007, at 5:36 PM, Jones de Andrade wrote:
Hi Erik.
I was thinking something about it exactly now. I mean, Berk quoted
that the scalling goes with beta/tau in Berendsen, and with beta/
tay^2 in Parrinello. I mean, in a similar implementation, how
should it go for a nosè implement
Hi Erik.
I was thinking something about it exactly now. I mean, Berk quoted that the
scalling goes with beta/tau in Berendsen, and with beta/tay^2 in Parrinello.
I mean, in a similar implementation, how should it go for a nosè
implementation?
Also, what would be a good value for tau_p so? I was
On 5/3/07, Erik Lindahl <[EMAIL PROTECTED]> wrote:
Hi,
On May 3, 2007, at 12:37 PM, Jones de Andrade wrote:
Hi Berk! Thanks for your so fast answer!
I'll try to look for a different tau_p. I would really feel 4 ps a too
high value, even for water systems, but will look around before decision.
Hi,
On May 3, 2007, at 12:37 PM, Jones de Andrade wrote:
Hi Berk! Thanks for your so fast answer!
I'll try to look for a different tau_p. I would really feel 4 ps a
too high value, even for water systems, but will look around before
decision. Anyway, I'm still concerned about the compressi
Hi Berk! Thanks for your so fast answer!
I'll try to look for a different tau_p. I would really feel 4 ps a too high
value, even for water systems, but will look around before decision. Anyway,
I'm still concerned about the compressibility value.
Long time ago in this list I came to this questio
From: "Jones de Andrade" <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users
To: "Discussion list for GROMACS users"
Subject: [gmx-users] Compressibility issue - real concern
Date: Thu, 3 May 2007 06:33:12 -0300
Hi all.
Well, I'm having a great problem in some NpT simulations I
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