[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101225/8a81f0c6/attachment.html>
More information about the gromacs.org_gmx-users
mailing list