How To Install libgromacs2 on Debian 9
Introduction
In this tutorial we learn how to install libgromacs2 on Debian 9.
What is libgromacs2
libgromacs2 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 libgromacs2 on Debian 9. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install libgromacs2 Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install libgromacs2 using apt-get by running the following command:
sudo apt-get -y install libgromacs2
Install libgromacs2 Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install libgromacs2 using apt by running the following command:
sudo apt -y install libgromacs2
Install libgromacs2 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 libgromacs2 using aptitude by running the following command:
sudo aptitude -y install libgromacs2
How To Uninstall libgromacs2 on Debian 9
To uninstall only the libgromacs2 package we can use the following command:
sudo apt-get remove libgromacs2
Uninstall libgromacs2 And Its Dependencies
To uninstall libgromacs2 and its dependencies that are no longer needed by Debian 9, we can use the command below:
sudo apt-get -y autoremove libgromacs2
Remove libgromacs2 Configurations and Data
To remove libgromacs2 configuration and data from Debian 9 we can use the following command:
sudo apt-get -y purge libgromacs2
Remove libgromacs2 configuration, data, and all of its dependencies
We can use the following command to remove libgromacs2 configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge libgromacs2
Dependencies
libgromacs2 have the following dependencies:
References
Summary
In this tutorial we learn how to install libgromacs2 package on Debian 9 using different package management tools: apt, apt-get and aptitude.
