[gmx-users] Minimisation failure: The charge group moved more than the distance allowed by the domain decomposition

Vytautas Rakeviius vytautas1987 at yahoo.com
Fri Jul 4 12:00:18 CEST 2014

Here all my files:


I try minimize this with:

grompp_mpi_d -maxwarn 2 -f ~/emamber.mdp -c *_solvated_bonded_GMX.gro -p *_solvated_bonded_GMX.top -o em.tpr
mdrun_mpi_d -deffnm em

Here is my emamber.mdp file: http://pastebin.com/vtiuCzt0
Here is my full error: http://pastebin.com/zX57DnQf

I would be thankful for help.

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