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

[Joerg Sauter]

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

      https://www.dropbox.com/s/0kuos2devdy5hpy/group.tar.gz?dl=0.

Does anyone have an idea what might be going wrong?

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

Best,
Joerg

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