[gmx-users] GPU file

[Mark Abraham]

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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