[gmx-users] pbc=xy with 2 walls and verlet scheme

Joerg Sauter Joerg.Sauter at mpikg.mpg.de
Tue Oct 13 11:46:40 CEST 2015

Hi all,

I use GROMACS 5.1. With

     pbc                     = xy
     nwall                    = 2

and cutoff-scheme = group everything runs fine, however, when I switch 
to cutoff-scheme = verlet the simulation crashes with a floating exception.

Both cases can be downloaded here


Does anyone have an idea what might be going wrong?

The issue sounds related to Bug 1660 ( 
http://redmine.gromacs.org/issues/1660 )


Joerg Sauter
Theory & Bio-Systems
Max Planck Institute of Colloids and Interfaces
Potsdam, Germany

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