In which case can the determinant not be computed?
Dr. Vitaly V. Chaban On Thu, Jul 4, 2013 at 10:53 AM, Sergey <gandalfg...@yandex.ru> wrote: > Dear users, > > I'm trying to run MD with SWM4-DP model (data from > http://virtualchemistry.org), but I always have error: > "Can not invert matrix, determinant =". > > I did energy minimization etc. but it don't help... > > May be someone have complete stuff of files for > shell MD, including .mdp file ? > > Sergey > -- > 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 > -- 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
