[gmx-users] Cann't get the same result ?
xuji
xuji at home.ipe.ac.cn
Mon Sep 22 02:26:22 CEST 2008
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
2008-09-22
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