How to Install

This category includes video instructions for installing computational chemistry software.

installinng GROMACS on Ubuntu

Complete guide to installing GROMACS on Ubuntu (with GPU support)

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GROMACS is a widely used open-source software program designed for molecular dynamics simulations that investigate the behaviour of complex molecular systems. It is known for its high performance and user-friendly interface. It is an excellent choice for simulating various chemical and biochemical systems, including proteins, nucleic acids, lipids, carbohydrates, and polymers. GROMACS can be installed …

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gromacs installation; install gromacs on linux and windows

the easiest way to install GROMACS on Windows and Linux + installing GROMACS with GPU support

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GROMACS is a popular open-source molecular dynamics simulation software that can simulate the behaviour of complex molecular systems. GROMACS was initially developed in the early 1990s by researchers at the University of Groningen in the Netherlands, and has since been continuously updated and maintained by a large community of developers throughout the world. GROMACS is …

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How to install Gaussian 16 on Linux, ubuntu and CentOS

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Gaussian 16, the latest version of Gaussian software, is a state-of-the-art toolkit for electronic structure modelling. Gaussian 16 is available for a wide variety of computer systems. A suitable environment for operating Gaussian is a Linux based computer. However, many users have difficulty installing the package on a Linux machine. In this tutorial, I’ll show …

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