Never mind, everyone. Issue solved by always selecting the smaller index group first.
On Wed, Jul 10, 2013 at 10:59 AM, yunshi11 . <yunsh...@gmail.com> wrote: > Program g_hbond, VERSION 4.5.4 > Source code file: gmx_hbond.c, line: 823 > > Fatal error: > No donor atom 5226 > > > > On Wed, Jul 10, 2013 at 10:58 AM, yunshi11 . <yunsh...@gmail.com> wrote: > >> Hi all, >> >> I wonder what could be the cause of such a fatal error when using g_hbond >> with -contact option. >> >> The two index group I chose have no overlap, but certain index group >> pairs worked while others did not and gave this fatal error. >> >> Thanks, >> Yun >> > > -- 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
