[gmx-users] Batch mode error in GROMACS version 2019.2

[Mark Abraham]

What happens when you do it interactively?

Mark

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
> http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts
> however, could not get it worked for version 2019.2.
>
> Any help will be appreciated.
>
> With regards,
> *Rajib*
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