[gmx-developers] git version cut-off error

[Carsten Kutzner]

Hi Florian,

if you are referring to the "1000 charges in a box" system: This one
I just tested with git-gromacs, both single and double precision, and  
for me it
works fine. Did you set all cutoffs to 4.5 nm?

Carsten


On Jul 29, 2009, at 10:29 AM, Florian Dommert wrote:

> Hello,
>
> yesterday I wanted to test the development version of gromacs.
> Therefore I used a topology that is working with gmx4.0.x . The
> preprocessing with grompp was working fine, but mdrun gives me the   
> error that my cutoff is more than half of the box size. This did not
> happen with earlier version of the code. gmxdump helped me to check  
> the
> size of the box and it corresponds to my settings ( 10 x 10 x 10
> boxsize and a cutoff of 4.5 nm ). Compilation of the code was done
> in double precision.
> Has anybody of you any idea about the source of this error ?
>
> /Flo
>
> -- 
> Florian Dommert
> Dipl.-Phys.
>
> Institute for Computational Physics
> University Stuttgart
>
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> 70569 Stuttgart
>
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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/home/grubmueller/ihp/ckutzne