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