[gmx-users] Checking the Progress of Energy minimization

Mark Abraham mark.abraham at anu.edu.au
Thu Mar 6 07:18:40 CET 2008

> Dear All,
> I am doing Energy minimization of a protein.The valus are fluctuating butI
> don't know in how much time it will be completed and what are the signs
> that show that it is running?

Use tail -f on the .log file to get some progress information. You can't
estimate the run time of an unknown minimization problem, since the
termination criterion depends on as-yet unknown features of the energy


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