How To Install gromacs-libs on CentOS 7

In this tutorial we learn how to install gromacs-libs on CentOS 7. gromacs-libs is GROMACS shared libraries

Introduction

In this tutorial we learn how to install gromacs-libs on CentOS 7.

What is gromacs-libs

GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package contains libraries needed for operation of GROMACS.

We can use yum or dnf to install gromacs-libs on CentOS 7. In this tutorial we discuss both methods but you only need to choose one of method to install gromacs-libs.

Install gromacs-libs on CentOS 7 Using yum

Update yum database with yum using the following command.

sudo yum makecache

After updating yum database, We can install gromacs-libs using yum by running the following command:

sudo yum -y install gromacs-libs

Install gromacs-libs on CentOS 7 Using dnf

If you don’t have dnf installed you can install DNF on CentOS 7 first. Update yum database with dnf using the following command.

sudo dnf makecache

After updating yum database, We can install gromacs-libs using dnf by running the following command:

sudo dnf -y install gromacs-libs

How To Uninstall gromacs-libs on CentOS 7

To uninstall only the gromacs-libs package we can use the following command:

sudo dnf remove gromacs-libs

References

Summary

In this tutorial we learn how to install gromacs-libs on CentOS 7 using yum and dnf.