UPD: the version of gromacs exhibiting this marvellous behavior is 4.5.5.
On Mon, May 20, 2013 at 8:11 AM, Dr. Vitaly Chaban <vvcha...@gmail.com>wrote: > any ideas what the below error message can indicate? > > Step 350755: > The charge group starting at atom 44257 moved than the distance allowed by > the domain decomposition (2.745686) in direction Z > distance out of cell 32.799423 > Old coordinates: 4.794 4.299 4.356 > New coordinates: -72.747 -69.851 38.291 > Old cell boundaries in direction Z: 2.746 5.491 > New cell boundaries in direction Z: 2.746 5.491 > > > The system is reasonably equilibrated. It is NOT a gas phase. The listed > displacement is NOT possible, according to conventional wisdom. The > question is what can make mdrun say that it happens? > > > Thank you. Dr. Vitaly Chaban > -- 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
