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

[Vytautas Rakeviius]

Here all my files:

https://www.dropbox.com/s/94u9b9stsk84ckz/1oyn6wat1994-15a_vconf-docking_1.tar.bz2


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.