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

[Jochen Hub]

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!

Check the messages by Carsten Kutzner in this list. He replied to such
questions several times in detail.

Best, Jochen


> 
> Best wishes!
> 
> Ji Xu
> xuji at home.ipe.ac.cn
> 
> 2008-09-22
> 　　　　　　　　　　　　　　
> 
> 
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-- 
************************************************
Dr. Jochen Hub
Max Planck Institute for Biophysical Chemistry
Computational biomolecular dynamics group
Am Fassberg 11
D-37077 Goettingen, Germany
Email: jhub[at]gwdg.de
Tel.: +49 (0)551 201-2312
************************************************