[gmx-users] NVE dynamics

[David]

On Tue, 2003-12-09 at 23:08, Bing Kim wrote:
> Hi all.
> 
> I might have a stupid question.
> If I run NVE dynamics with single cpu version and parallel version of 
> gromacs, should I see the same result?
No, because numerical roundoff will lead to different trajectories.


> Thanks in advance.
> 
> Bing Kim
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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