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 > [EMAIL PROTECTED] > > 2008-09-22 > > > > ------------------------------------------------------------------------ > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > 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 -- ************************************************ 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 ************************************************ _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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