[gmx-users] EM Difficulties.

Erik Lindahl lindahl at stanford.edu
Mon Jul 7 19:07:00 CEST 2003


> Steepest Descents converged to 2000 in 17 steps
>  Potential Energy = -3.13108e+02
> Maximum force: 1.05358e+03

You've selected a tolerance of 2000 kJ/mol in your input files, and 
since the energy minimization has converged to this accuracy it stopped.


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