hi, It will be better to check the energy after the final production run ....
Pawan On Fri, May 1, 2009 at 12:15 AM, Halie Shah <halieps...@gmail.com> wrote: > > Hi! > > I have just completed a position restrained dynamics run on my protein with > GROMACS 3.3.3 and I generated an xvg file with the g_energy command...I > noticed in this that the energy for time step 0 was 0.88 (near 0) kj > mol/S-1/N while the energy for time step 0.2ps was 1158....after this the > rest of the time steps (up to 20ps) were roughly around 1150. I'm wondering > why the energy at the start is so low for my protein (which I energy > minimized)...I assumed it would be near 1150. Is this a problem/what does it > mean? Os it fine to move on and do an mdrun? > > Thanks so much, > Halie Shah > University of Houston > Briggs Computational Biology Lab > > _______________________________________________ > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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