[gmx-developers] Release date for Gromacs 4.0.6?
XAvier Periole
x.periole at rug.nl
Mon Nov 2 11:38:41 CET 2009
On Nov 2, 2009, at 10:15 AM, Chze Ling Wee wrote:
> Hi
>
> I wondered if there is a release date for Gromacs 4.0.6?
>
> I am seen the Gromacs bug with mdrun -append -cpi and trajectories
> larger than 2GB so I am looking for a fix.
What is that bug?
A way around your problem (if there is one) is to generate a new tpr
file from
the original using tpbconv with the -nstep option to extend the
original number
of steps and then mdrun -cpi
>
> Kind Regards
> Chze Ling
>
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