How To Install libgromacs4 on Debian 10
Introduction
In this tutorial we learn how to install libgromacs4 on Debian 10.
What is libgromacs4
libgromacs4 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 libgromacs4 on Debian 10. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install libgromacs4 Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install libgromacs4 using apt-get by running the following command:
sudo apt-get -y install libgromacs4
Install libgromacs4 Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install libgromacs4 using apt by running the following command:
sudo apt -y install libgromacs4
Install libgromacs4 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 libgromacs4 using aptitude by running the following command:
sudo aptitude -y install libgromacs4
How To Uninstall libgromacs4 on Debian 10
To uninstall only the libgromacs4 package we can use the following command:
sudo apt-get remove libgromacs4
Uninstall libgromacs4 And Its Dependencies
To uninstall libgromacs4 and its dependencies that are no longer needed by Debian 10, we can use the command below:
sudo apt-get -y autoremove libgromacs4
Remove libgromacs4 Configurations and Data
To remove libgromacs4 configuration and data from Debian 10 we can use the following command:
sudo apt-get -y purge libgromacs4
Remove libgromacs4 configuration, data, and all of its dependencies
We can use the following command to remove libgromacs4 configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge libgromacs4
Dependencies
libgromacs4 have the following dependencies:
References
Summary
In this tutorial we learn how to install libgromacs4 package on Debian 10 using different package management tools: apt, apt-get and aptitude.