[gmx-users] Re: Fatal error: No donor atom 780
yunshi09 at gmail.com
Wed Jul 10 19:59:37 CEST 2013
Program g_hbond, VERSION 4.5.4
Source code file: gmx_hbond.c, line: 823
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.
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