Hello, I am performing a MD simulation on a small molecule in a bilayer. The simulation seems to run smoothly but when i graph the energy i see large changes in energy randomly throughout the run(see graph).
<http://gromacs.5086.x6.nabble.com/file/n5010260/potential_12cc50.png> I have looked at each energy term individually and it is the coulomb (SR) which has these large jumps while the rest seem to be normal. Can anyone suggest what might be going on here? (i can add the mdp file if needed) -- View this message in context: http://gromacs.5086.x6.nabble.com/inconsistent-energy-drops-tp5010260.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
