gromacs-openmpi software package provides Molecular dynamics sim, binaries for OpenMPI parallelization, you can install in your Debian 8 (Jessie) by running the commands given below on the terminal,
$ sudo apt-get update $ sudo apt-get install gromacs-openmpi
gromacs-openmpi is installed in your system.
Make ensure the gromacs-openmpi package were installed using the commands given below,
$ sudo dpkg-query -l | grep gromacs-openmpi *
You will get with gromacs-openmpi package name, version, architecture and description in a table
| Distro | Debian 8 jessie |
| Section | Science |
| Package | gromacs-openmpi |
| Version | 5.0.2-1 |
| Description | Molecular dynamics sim, binaries for OpenMPI parallelization |
| Sub Section | Science |
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