[gmx-users] g_tune_pme and verlet

[Carsten Kutzner]

On 29 Sep 2014, at 19:10, Åke Sandgren <ake.sandgren at hpc2n.umu.se> wrote:

> Hi!
> 
> I'm trying to run g_tune_pme on a case with verlet lists, but i get complaints from mdrun that
> “With Verlet lists rcoulomb and rvdw should be identical”
But does mdrun like your input file?

Carsten


> even with -scalevdw.
> 
> Using 4.6.5
> g_tune_pme -r 3 -min 0.1 -rmin 0.7 -rmax 1.1 -scalevdw -ntpr 10 -s case.tpr
> 
> Is this a known problem or am i doing something wrong?
> 
> -- 
> Ake Sandgren, HPC2N, Umea University, S-90187 Umea, Sweden
> Internet: ake at hpc2n.umu.se   Phone: +46 90 7866134 Fax: +46 90-580 14
> Mobile: +46 70 7716134 WWW: http://www.hpc2n.umu.se
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--
Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302
http://www.mpibpc.mpg.de/grubmueller/kutzner
http://www.mpibpc.mpg.de/grubmueller/sppexa