[gmx-users] Batch mode error in GROMACS version 2019.2
mark.j.abraham at gmail.com
Fri Sep 13 14:36:25 CEST 2019
What happens when you do it interactively?
On Fri, 13 Sep 2019 at 14:21, Rajib Biswas <chemrajib at gmail.com> wrote:
> Dear All,
> I am trying to use the post-processing tools in batch mode. I am using the
> following commands
> echo 18 0 | gmx_mpi energy -f traj.edr -o temperature
> Getting the following error:
> Program: gmx energy, version 2019.2
> Source file: src/gromacs/gmxana/gmx_energy.cpp (line 296)
> Fatal error:
> No energy terms selected
> I have even tried all the options mentioned
> however, could not get it worked for version 2019.2.
> Any help will be appreciated.
> With regards,
> Gromacs Users mailing list
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