How To Install libgromacs6 on Ubuntu 22.04
Introduction
In this tutorial we learn how to install libgromacs6
on Ubuntu 22.04.
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 22.04. We can use apt-get
, apt
and aptitude
. In the following sections we will describe each method. You can choose one of them.
Install 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 22.04
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 22.04, 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 22.04 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
References
Summary
In this tutorial we learn how to install libgromacs6
package on Ubuntu 22.04 using different package management tools: apt
, apt-get
and aptitude
.