[gmx-users] Re: Fatal error: No donor atom 780

Never mind, everyone. Issue solved by always selecting the smaller index group first. On Wed, Jul 10, 2013 at 10:59 AM, yunshi11 . wrote: > Program g_hbond, VERSION 4.5.4 > Source code file: gmx_hbond.c, line: 823 > > Fatal error: > No donor atom 5226 > > > > On We

[gmx-users] Re: Fatal error: No donor atom 780

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 . wrote: > Hi all, > > I wonder what could be the cause of such a fatal error when using g_hbond > with -contact option. > > The

[gmx-users] Fatal error: No donor atom 780

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 listgmx-users@gromacs.or