[gmx-developers] git version cut-off error

Florian Dommert dommert at icp.uni-stuttgart.de
Wed Jul 29 10:29:01 CEST 2009


  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 ?


Florian Dommert

Institute for Computational Physics
University Stuttgart

Pfaffenwaldring 27
70569 Stuttgart

Tel: +49 - 711 / 6856-3613
Fax: +49 - 711 / 6856-3658

EMail: dommert at icp.uni-stuttgart.de
Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert

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