1. how long is the simulation? 2. did you start from equilibration (with gen_vel=yes) or production md? 3. ...
On 12/5/2007 8:28 PM, Dechang Li wrote: > Dear all, > > I used Gromacs3.3.1 to do a simulation about two proteins in water(tip3p). > I run two similar simulations, one for 2 cpus, while the other for 16 cpus. > The two simulations have the same .gro, .top, and the same .mdp files. I found > the results were not the same. In the 2 cpus simulation, the two proteins > run closer and closer. But they run apart in the 16 cpus simulation. > Is that normal the different results when using different number cpus? The > size of my simulation box is 9*7*7. > > > > > > > > Best regards, > > 2007-12-5 > > > ========================================= > Dechang Li, PhD Candidate > Department of Engineering Mechanics > Tsinghua University > Beijing 100084 > PR China > > Tel: +86-10-62773779(O) > Email: [EMAIL PROTECTED] > ========================================= > > ------------------------------------------------------------------------ > > _______________________________________________ > 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
