I used the mdrun -rerun option to recalculate the energies of the system and it gave me nearly the same energy plot but without the random drops(see plot below). I am still unsure what is causing the jumps but i do not believe it is from my system. Since the energy is used in the calculation for the next step, is there reason to worry about the validity of this run?
potential energy (black being the original potential and red being the -rerun) <http://gromacs.5086.x6.nabble.com/file/n5010294/pot_rerun.png> Zoomed in on first peaks: <http://gromacs.5086.x6.nabble.com/file/n5010294/pot_rerun_close.png> Thanks, Brad -- View this message in context: http://gromacs.5086.x6.nabble.com/inconsistent-energy-drops-tp5010260p5010294.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
