Installation of GROMACS 2016 via yum
GROMACS 2016 can be now installed using yum command on CentOS or other OS.
Use command yum to find the available packages of GROMACS.
sudo yum list gromacs*The output is
Available Packagesgromacs.x86_64 2016.4-1.el7 epelgromacs-common.noarch 2016.4-1.el7 epelgromacs-devel.x86_64 2016.4-1.el7 epelgromacs-doc.noarch 2016.4-1.el7 epelgromacs-libs.x86_64 2016.4-1.el7 epelgromacs-mpich.x86_64 2016.4-1.el7 epelgromacs-openmpi.x86_64 2016.4-1.el7 epelThen we choose the first one, gromacs.x86_64. Type the following command for installing.
sudo yum install gromacs.x86_64Wait for a while.
Below is name list of dependency packages that GROMACS needs.
Installing: gromacs x86_64 2016.4-1.el7 epel 215 kInstalling for dependencies: fftw-libs-double x86_64 3.3.3-8.el7 base 759 k fftw-libs-single x86_64 3.3.3-8.el7 base 766 k gromacs-common noarch 2016.4-1.el7 epel 793 k gromacs-libs x86_64 2016.4-1.el7 epel 11 M libICE x86_64 1.0.9-9.el7 base 66 k libSM x86_64 1.2.2-2.el7 base 39 k lmfit x86_64 6.1-3.el7 epel 20 k tng x86_64 1.8.2-1.el7 epel 128 kWhen the installation is completed, you can run GROMACS using gmx command.
Rangsiman