dockerfile.run – mdrun

mdrun_mpi.mpich

Molecular dynamics sim, binaries for MPICH parallelization

Debian

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

Ubuntu

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

Kali Linux

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

Fedora

RUN dnf install -y gromacs-mpich

Raspbian

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

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