[gmx-users] Fatal error: 2 particles communicated to PME node 0 are more than a cell length out of the domain decomposition cell of their charge group

[Mark Abraham]

wuxiao wrote:
> Dear GMXers,
>    When I perfomed a MD simulation, it always teminated after about 700 
> ps with the message:
> /Fatal error: 2 particles communicated to PME node 0 are more than a 
> cell length out of the domain decomposition cell of their charge group/
>    I utilized the GROMACS-4.0.5. I have searched the maillist to find 
> some similar posts but they can not yet cope with this issues. Could you 
> give me some clues, please?

Yep. http://www.gromacs.org/Documentation/Terminology/Blowing_Up

Mark