[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
field
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
kavya
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