[gmx-users] minimization

mustafa bilsel mfbilsel at gmail.com
Fri Dec 24 23:26:12 CET 2010


Hi,
What is the meaning of the below message after I completed minimization?
Does it mean minimization is successful?
In my input parameters nsteps=10,000,000 but minimization stops at about
14,000 th step. Is 10,000,000 very large? What is the typical value for it?

And also what is the meaning of Fmax<10?

Message: Converged to machine precision, but not to the requested precision
Fmax<10.

Best wishes
Mustafa
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