Hi, This is almost certainly a problem with simulation instability, so please follow the approaches here http://www.gromacs.org/Documentation/Terminology/Blowing_Up to discover more about what is wrong.
Mark On Tue, Aug 18, 2015 at 3:09 PM Liz Bell <lizb...@gmx.at> wrote: > Dear all, > > I have a question about the handling of the tabulated interactions. > I am using tabulated potentials for my simulations. > With "grompp" there is no problem, i.e. no error messages. > Running mdrun produces: > > Fatal error: > A tabulated bond interaction table number 1 is out of the table range: r > 13.532542, between table indices 135325 and 135326, table length 60000 > > I really do not understand this error. Considering my system it seems to > be senseless. > The value for "r" in the first column of my table is ranged from 0 to 6nm > with a step size of 0.001nm. > My box size is 6nm. So how is it possible that a bonded interaction is > greater than the box itselfs? > I am actually thinking, that it should be enough that the table is ranged > from 0 to 2 or 3nm as the interaction is a bonded one. > > Or does this error message only occur, because of the fact that my system > is crashing - so as a result from an other error in my files? > > Tank you very much in advance. > Best, > Liz > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
