[gmx-users] some puzzles about energy minimizition

David van der Spoel spoel at xray.bmc.uu.se
Tue Dec 31 10:00:49 CET 2002

On Tue, 31 Dec 2002, nanyu101 wrote:

>Dear gmx-users,
>  I have done some energy minimizition of different comformations of a molecule.Some of them can  be minimized,some of them have some problems: 
>Steepest Descents did not converge in 714 steps
>Potential Energy  = -4.38169e+02
>Maximum force:  3.20897e+01
>nodetime = 0! Infinite Giga flopses!¡¡¡¡
>Would you please tell me what the meaning of the last line is? 
With pleasure.

It tells you that your computer is infinitely fast, since all computations
ewre performed in zero seconds.


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