[gmx-users] GPU file

[RAHUL SURESH]

 gmx mdrun -rerun md.xtc deffnm md in my cpu.

Hope this will get me the necessary file. Isnt it?

On Tue, Jan 24, 2017 at 4:10 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> As the md.log file reports, energy groups aren't implemented on GPUs. You
> can use
>
> mdrun -s topol.tpr -rerun traj.trr -nb cpu
>
> to get them for the frames you saved.
>
> Mark
>
> On Tue, Jan 24, 2017 at 10:54 AM RAHUL SURESH <drrahulsuresh at gmail.com>
> wrote:
>
> > Why is that ENERGY is 0 when simulation is from GPU.
> >
> > and how to get the energy file by running in in cpu
> >
> > --
> > *Regards,*
> > *Rahul Suresh*
> > *Research Scholar*
> > *Bharathiar University*
> > *Coimbatore*
> > --
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-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*