[gmx-users] Buggy 2020?

Mark Abraham mark.j.abraham at gmail.com
Sat Apr 11 07:33:41 CEST 2020


Hi,

Based on what is in your system, what do you think the behavior should be?
A change reflects that one of the versions may be wrong, but not that the
new one is necessarily it.

Mark

On Fri, 10 Apr 2020 at 08:17, Parvez Mh <parvezmh89 at gmail.com> wrote:

> Hello All,
>
>  I am wondering if gromacs-2020 is buggy? or I am missing something?. In
> gromacs-2020, for a  certain setup, I got following warning,
> WARNING: There are no atom pairs for dispersion correction
>
> But, for same system, gromacs-2019 does not give warning.  Apparently,
> gromacs-2020 gives zero  in dispersion correction, whereas
> gormacs-2019 gives non-zero dispersion correction.
>
> Regards,
> Masrul
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