Dear Gromacs Users, As I know for the Energy Minimization algorithms both Steepest Descent and Conjugate Gradient will not provide a global minimum of the potential energy but only a local minium. Does anyone know how Gromacs choose the starting point on the potential energy hypersurface for the beginning of Energy Minimization?
Thank you in advance, Jan Marzinek
-- 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