How To Install packmol on Rocky Linux 8

In this tutorial we learn how to install packmol on Rocky Linux 8. packmol is Packing optimization for molecular dynamics simulations

Introduction

In this tutorial we learn how to install packmol on Rocky Linux 8.

What is packmol

Packmol creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. The packing guarantees that short range repulsive interactions do not disrupt the simulations. The great variety of types of spatial constraints that can be attributed to the molecules, or atoms within the molecules, makes it easy to create ordered systems, such as lamellar, spherical or tubular lipid layers. The user must provide only the coordinates of one molecule of each type, the number of molecules of each type and the spatial constraints that each type of molecule must satisfy. The package is compatible with input files of PDB, TINKER, XYZ and MOLDY formats.

We can use yum or dnf to install packmol on Rocky Linux 8. In this tutorial we discuss both methods but you only need to choose one of method to install packmol.

Install packmol on Rocky Linux 8 Using dnf

Update yum database with dnf using the following command.

sudo dnf makecache --refresh

After updating yum database, We can install packmol using dnf by running the following command:

sudo dnf -y install packmol

Install packmol on Rocky Linux 8 Using yum

Update yum database with yum using the following command.

sudo yum makecache --refresh

After updating yum database, We can install packmol using yum by running the following command:

sudo yum -y install packmol

How To Uninstall packmol on Rocky Linux 8

To uninstall only the packmol package we can use the following command:

sudo dnf remove packmol

packmol Package Contents on Rocky Linux 8

/usr/bin/packmol
/usr/bin/packmol_solvate
/usr/lib/.build-id
/usr/lib/.build-id/3e
/usr/lib/.build-id/3e/84133badf8eeb3005e4e52a36841c470a415bc
/usr/share/doc/packmol
/usr/share/doc/packmol/AUTHORS
/usr/share/doc/packmol/LICENSE

References

Summary

In this tutorial we learn how to install packmol on Rocky Linux 8 using yum and dnf.