dockerfile.run – mdrun

mdrun_mpi.openmpi

Molecular dynamics sim, binaries for OpenMPI parallelization

Debian

RUN apt-get update && \
    apt-get install -y gromacs-openmpi

Ubuntu

RUN apt-get update && \
    apt-get install -y gromacs-openmpi

Kali Linux

RUN apt-get update && \
    apt-get install -y gromacs-openmpi

Fedora

RUN dnf install -y gromacs-openmpi

Raspbian

RUN apt-get update && \
    apt-get install -y gromacs-openmpi

click the source code to copy install mdrun_mpi.openmpi on any operating system with command-not-found.com