[gmx-users] Batch mode error in GROMACS version 2019.2
Rajib Biswas
chemrajib at gmail.com
Fri Sep 13 14:21:26 CEST 2019
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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