[gmx-users] Buggy 2020?

[Parvez Mh]

Mark,

I am expecting non-zero value. Looks like,  the bugs is fixed in the
latest version of gromacs-2020.1. I was trying gromacs-2020, which was
giving zero dispersion, but 2020.1 is giving correct (non-zero).

Sincerely,
Masrul




On Sat, Apr 11, 2020 at 12:33 AM Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> 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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