[gmx-users] question about g_tcaf
tsjerkw at gmail.com
Thu Mar 24 11:35:43 CET 2011
It's 'just' a fit/proportionality parameter relating the viscosity for a
k-vector to the length of the vector and the viscosity proper (eta0). From
the equation you can work out that the unit is nm^-2.
Hope it helps,
On Thu, Mar 24, 2011 at 10:27 AM, Alif M Latif <prism_dead at yahoo.com> wrote:
> Dear gromacs users and developers,
> I have 1 question about the calculation of viscosity using g_tcaf. I got
> the visc_k.xvg file. According to Berk Hess's report, the k values should be
> extrapolated to k=0 to obtain the viscosity. The question is (and I'm sorry
> if this is a silly question), what is "a" in : eta(k) = eta 0 (1-ak^2)
> ?..can someone help? I couldn't find (or missed) it in the paper.
> Thank You in advance,
> MUHAMMAD ALIF MOHAMMAD LATIF
> Laboratory of Theoretical and Computational Chemistry
> Department of Chemistry
> Faculty of Science
> Universiti Putra Malaysia
> 43400 UPM Serdang, Selangor
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Tsjerk A. Wassenaar, Ph.D.
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
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