Install gromacs on Ubuntu: sudo apt-get install gromacs

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Quick installation of gromacs:

Step 1: Update system:

	sudo apt-get update

Step 2: Install: gromacs

Ater updaing the OS run following command to install the packae:

	sudo apt-get install gromacs

Package Details
Package:	gromacs
Version:	4.5.5-1
Maintainer:	Ubuntu Developers
Home page:	http://www.gromacs.org/
Description:	Molecular dynamics simulator, with building and analysis tools 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. . GROMACS offers entirely too many features for a brief description to do it justice. A more complete listing is available at . Homepage: http://www.gromacs.org/
Distro:	Ubuntu 12.04 LTS
Release:
Repo/Section:	universe/science

How to install gromacs on Ubuntu 12.04 LTS?

Install gromacs on Ubuntu: sudo apt-get install gromacs

First of all update your system with the command:

sudo apt-get update

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Above command will download the package lists for Ubuntu 12.04 LTS on your system. This will update the list of newest versions of packages and its dependencies on your system.

After downloading the latest package list with the help of above you can run the installation process.

If gromacs is not installed on your compter then the command 'dpkg -L gromacs' will give followin error.

deepak@deepak-VirtualBox:~$ dpkg -L gromacs
Package `gromacs' is not installed.
Use dpkg --info (= dpkg-deb --info) to examine archive files,
and dpkg --contents (= dpkg-deb --contents) to list their contents.
deepak@deepak-VirtualBox:~$

Installing gromacs:

After system update use the following command to install gromacs:

sudo apt-get install gromacs

Above command will confirm before installing the package on your Ubuntu 12.04 LTS Operating System. If you are not already logged in as su, installer will ask you the root password. After completion of the installation you can use the package on your system.

How to uninstall/remove gromacs from Ubuntu 12.04 LTS?

Now we will see the commands for uninstalling the gromacs from Ubuntu 12.04 LTS. For uninstalling this package you can easily use the apt command and remove the package from Linux Operating System.

To remove the gromacs following command is used:

sudo apt-get remove  gromacs

Following command is used to remove the gromacs package along with its dependencies:

sudo apt-get remove --auto-remove gromacs

This will remove gromacs and all its dependent packages which is no longer needed in the system.

Completely removing gromacs with all configuration files:

Following command should be used with care as it deletes all the configuration files and data:

sudo apt-get purge gromacs

or you can use following command also:

sudo apt-get purge --auto-remove gromacs

Above command will remove all the configuration files and data associated with gromacs package. You can can't recover the delete data, so, use this command with care.