[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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