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

[yunshi11 .]

Never mind, everyone. Issue solved by always selecting the smaller index
group first.

On Wed, Jul 10, 2013 at 10:59 AM, yunshi11 . <yunshi09 at 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 . <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
>>
>
>