We have provided a tutorial on installing GROMACS [1] on Ubuntu with CUDA GPU support. The methods may vary depending on the requirements of your system. Therefore, in this article, we provide another method to configure GROMACS with CUDA.ContentsGetting StartedRemoving existing driversDownloading CUDA toolkitInstalling CUDA toolkitInstalling NVIDIA driversInstalling prerequisites for GROMACSDownloading RegressiontestsDownloading GROMACSInstalling GROMACSNOTEReferencesFurther Reading … Continue reading Method-2: Installing GROMACS on Ubuntu 20.04 with CUDA GPU Support