How To Install libgromacs5 on Debian 11
Introduction
In this tutorial we learn how to install libgromacs5 on Debian 11.
What is libgromacs5
libgromacs5 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 libgromacs5 on Debian 11. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install libgromacs5 Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install libgromacs5 using apt-get by running the following command:
sudo apt-get -y install libgromacs5
Install libgromacs5 Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install libgromacs5 using apt by running the following command:
sudo apt -y install libgromacs5
Install libgromacs5 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 Debian. Update apt database with aptitude using the following command.
sudo aptitude update
After updating apt database, We can install libgromacs5 using aptitude by running the following command:
sudo aptitude -y install libgromacs5
How To Uninstall libgromacs5 on Debian 11
To uninstall only the libgromacs5 package we can use the following command:
sudo apt-get remove libgromacs5
Uninstall libgromacs5 And Its Dependencies
To uninstall libgromacs5 and its dependencies that are no longer needed by Debian 11, we can use the command below:
sudo apt-get -y autoremove libgromacs5
Remove libgromacs5 Configurations and Data
To remove libgromacs5 configuration and data from Debian 11 we can use the following command:
sudo apt-get -y purge libgromacs5
Remove libgromacs5 configuration, data, and all of its dependencies
We can use the following command to remove libgromacs5 configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge libgromacs5
Dependencies
libgromacs5 have the following dependencies:
References
Summary
In this tutorial we learn how to install libgromacs5 package on Debian 11 using different package management tools: apt, apt-get and aptitude.
