How To Install libgromacs3 on Ubuntu 18.04
Introduction
In this tutorial we learn how to install libgromacs3 on Ubuntu 18.04.
What is libgromacs3
libgromacs3 is:
GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.
It is primarily designed for biochemical molecules like proteins and lipids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non- biological systems, e.g. polymers.
This package contains the shared library, libgromacs.
There are three methods to install libgromacs3 on Ubuntu 18.04. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install libgromacs3 Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install libgromacs3 using apt-get by running the following command:
sudo apt-get -y install libgromacs3
Install libgromacs3 Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install libgromacs3 using apt by running the following command:
sudo apt -y install libgromacs3
Install libgromacs3 Using aptitude
If you want to follow this method, you might need to install aptitude first since aptitude is usually not installed by default on Ubuntu. Update apt database with aptitude using the following command.
sudo aptitude update
After updating apt database, We can install libgromacs3 using aptitude by running the following command:
sudo aptitude -y install libgromacs3
How To Uninstall libgromacs3 on Ubuntu 18.04
To uninstall only the libgromacs3 package we can use the following command:
sudo apt-get remove libgromacs3
Uninstall libgromacs3 And Its Dependencies
To uninstall libgromacs3 and its dependencies that are no longer needed by Ubuntu 18.04, we can use the command below:
sudo apt-get -y autoremove libgromacs3
Remove libgromacs3 Configurations and Data
To remove libgromacs3 configuration and data from Ubuntu 18.04 we can use the following command:
sudo apt-get -y purge libgromacs3
Remove libgromacs3 configuration, data, and all of its dependencies
We can use the following command to remove libgromacs3 configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge libgromacs3
References
Summary
In this tutorial we learn how to install libgromacs3 package on Ubuntu 18.04 using different package management tools: apt, apt-get and aptitude.
