How To Install g_rmsdist on CentOS 8

One-liner Install Command

If you are only interested in the installation command, here is a quick answer for you:

sudo yum makecache && sudo yum -y install gromacs

sudo dnf makecache && sudo dnf -y install gromacs

But if you are interested in the details with step-by-step instructions, the following information will be helpful.

What is g_rmsdist and How to Install It?

First things first, you will need access to a server or computer running CentOS 8. This guide was written specifically with a server running CentOS 8 in mind, although it should also work on older, supported versions of the operating system.

Also, make sure you are running a regular, non-root user with sudo privileges configured on your server. When you have an account available, log in as your non-root user to begin.

There are several ways to install g_rmsdist on CentOS 8. You can use (links are clickable):

In the following sections, we will describe each method in detail. You can choose one of them or refer to the recommended one.

Install g_rmsdist on CentOS 8 using dnf

First, update dnf packages database with dnf by running the next command:

sudo dnf makecache --refresh

After updating database, You can install g_rmsdist using dnf by running the following command:

sudo dnf -y install gromacs

Install g_rmsdist on CentOS 8 using yum

Because g_rmsdist is available in CentOS 8’s default repositories, it is possible to install it from these repositories using the yum packaging system.

To begin, update local packages database with yum using the following command.

sudo yum makecache --refresh

Now can install g_rmsdist package on your server/computer by running the following command:

sudo yum -y install gromacs

How to upgrade (update) a single package g_rmsdist using yum?

To update all the packages available on the system:

yum update

If you want to update a specific package like g_rmsdist in this example you should use the following command:

yum update gromacs

To downgrade a package to an earlier version:

yum downgrade gromacs

How to Upgrade g_rmsdist on CentOS 8 with dnf?

When you run the dnf update, all system packages with available updates are updated. However, if you want to upgrade a single package, then you would have to pass the package name as the argument to the dnf update command.

dnf update gromacs

How To remove g_rmsdist from CentOS 8

To uninstall only the g_rmsdist package you can execute the following command:

sudo dnf remove gromacs

Extra info and code examples

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.

Conclusion

You now have a full guide on how to install g_rmsdist using dnf and yum package managers. Also, we showed how to update manually as a single package and different ways to uninstall the g_rmsdist from CentOS 8.

See also: