GROMACS [1] is one of the most popular software in bioinformatics for molecular dynamic (MD) studies of macromolecules. We have provided different tutorials regarding MD simulation using GROMACS including its installation on Ubuntu. In this article, we will install GROMACS with GPU acceleration.ContentsGetting StartedDownloading CUDA toolkitInstalling CUDA toolkitUpdating NVIDIA driversInstalling prerequisites for GROMACSDownloading RegressiontestsDownloading GROMACSInstalling … Continue reading Method-1: Installing GROMACS on Ubuntu with CUDA GPU Support