How To Install libgromacs6 on Ubuntu
Posted on April 1, 2023 (Last modified on May 20, 2023 )
2 minutes • 412 words
Introduction
In this tutorial we learn how to install libgromacs6 on Ubuntu.
What is libgromacs6
libgromacs6 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 libgromacs6 on Ubuntu. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install libgromacs6 Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install libgromacs6 using apt-get by running the following command:
sudo apt-get -y install libgromacs6
Install libgromacs6 Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install libgromacs6 using apt by running the following command:
sudo apt -y install libgromacs6
Install libgromacs6 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 libgromacs6 using aptitude by running the following command:
sudo aptitude -y install libgromacs6
How To Uninstall libgromacs6 on Ubuntu
To uninstall only the libgromacs6 package we can use the following command:
sudo apt-get remove libgromacs6
Uninstall libgromacs6 And Its Dependencies
To uninstall libgromacs6 and its dependencies that are no longer needed by Ubuntu, we can use the command below:
sudo apt-get -y autoremove libgromacs6
Remove libgromacs6 Configurations and Data
To remove libgromacs6 configuration and data from Ubuntu we can use the following command:
sudo apt-get -y purge libgromacs6
Remove libgromacs6 configuration, data, and all of its dependencies
We can use the following command to remove libgromacs6 configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge libgromacs6
Dependencies
libgromacs6 have the following dependencies:
References
Summary
In this tutorial we learn how to install libgromacs6 package on Ubuntu using different package management tools: apt, apt-get and aptitude.