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

[yunshi11 .]

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 . <yunshi09 at 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
>