[gmx-users] hbond error

[Mark Abraham]

Hi,

I'm not sure whether I properly understand your description of the
behaviour. But if you think you have a case where the tool doesn't do what
its documentation says, please open an issue at https://redmine.gromacs.org
and attach a tarball of files that will help us diagnose and fix it :-)

Mark

On Thu, 16 Feb 2017 13:01 Chiara Parravicini <
chiara.parravicini at guest.unimi.it> wrote:

> Dear Gmx users,
>
> using GROMACS version 2016.1, I found the following error in the output of
> the gmx hbond routine: when computed from different groups, where one is a
> subset of the other one, hbonds from the same acceptor/donor pair do not
> match.
>
> I known that this error has been already widely discussed in previous
> gromacs versions. Is there any solution?
>
> Thanks
>
> Chiara
>
>
>
> --
> Chiara Parravicini, PhD
> Laboratorio di Biochimica e Biofisica Computazionale
> Dipartimento di Scienze Farmacologiche e Biomolecolari
> Università degli Studi di Milano
> Via Balzaretti 9,
> 20133 Milano, Italy
> Tel: +39 02-503-18256/18355
> Fax: +39 02-503-18284
>
>
> --
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