[gmx-users] Grompp checkpoint bug?

Mark Abraham mark.j.abraham at gmail.com
Mon Jul 13 14:38:08 CEST 2015


Thanks, I've proposed a docs fix for the next 5.0.x. In the long term, I
think we will stop supporting grompp -t -e, so I recommend people use a
workflow that calls grompp without those flags, and mdrun -cpi state.cpt to
achieve what continuity is possible.


On Mon, Jul 13, 2015 at 8:42 AM Dries Van Rompaey <
dries.vanrompaey at gmail.com> wrote:

> Dear Mark,
> Thanks for the reply. I filed a redmine bug report at
> http://redmine.gromacs.org/issues/1775. Let me know if there’s any other
> data you guys need to get this issue fixed.
> Kind regards
> Dries
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