In case of MD run. Minimization procedure was successful. 05.07.2013, 14:48, "Dr. Vitaly Chaban" <vvcha...@gmail.com>: > 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
-- "Подлость не позволяет летать. Это общий закон птиц" Кар-Карон -- 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
