[gmx-users] Cann't get the same result ?

[Yang Ye]

This is normal. You shall get statistical identical properties between runs.
Besides obvious reasons (gen_vel=yes and gen_seed=-1, or
optimize_fft=yes), there might be other factors.

Regards,
Yang Ye

On 9/22/08 8:26 AM, xuji wrote:
> Hi all:
> I run mdrun of gromacs-3.3.3 6 times of a small simulation,
> but I cann't get the same result every time. I run the mdrun
> program using "./mdrun -v -s md1.tpr -o md1.trr -c after_md1.gro -g
> md1.log -e md1.edr -x md1.xtc > md1.job
> && ./mdrun -v -s md1.tpr -o md1.trr -c after_md1.gro -g md1.log -e
> md1.edr -x md1.xtc > md1.job
> && ./mdrun -v -s md1.tpr -o md1.trr -c after_md1.gro -g md1.log -e
> md1.edr -x md1.xtc > md1.job".
> Three simulations one time. And run two times. The 6 log files are in
> the accessory.
> Can someone tell me why cann't I get the same result of the 6 simulations?
> Appreciate any help in advance!
> Best wishes!
> Ji Xu
> xuji at home.ipe.ac.cn <mailto:xuji at home.ipe.ac.cn>
>
> 2008-09-22
> 　　　　　　　　　　　　　　
>
> 	
>
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