Hi,
You just need to not choose such groups. See
http://manual.gromacs.org/documentation/current/user-guide/mdp-options.html#output-control
Mark
On Tue, Nov 27, 2018 at 7:10 AM Seketoulie Keretsu
wrote:
> I am running a protein ligand simulation for the first time after
> installation of GPU.
I am running a protein ligand simulation for the first time after
installation of GPU. When i execute mdrun i got this message,
"Multiple energy groups is not implemented for GPUs, falling back to
the CPU. ". I understand i have to remove the energy group in the .mdp
file. But I am not sure how to
