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 > [EMAIL PROTECTED] <mailto:[EMAIL PROTECTED]> > > 2008-09-22 > > > > > > ------------------------------------------------------------------------ > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
