[gmx-users] Energy minimization error

Kavyashree M hmkvsri at gmail.com
Fri Apr 15 18:19:10 CEST 2011

Dear gromacs users,

While doing energy minimization for a protein (from pdb), with oplsaa force
and tip4p water model, there was an error and em stopped -

Fatal error:
A charge group moved too far between two domain decomposition steps
This usually means that your system is not well equilibrated

What is the correction for this?

Thanking you
With regards
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