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
