GROMACS Installation on Windows and LINUX and Compile GROMACS with GPU Support

Аватар автора
Python мастерство
In this video, I explain the easiest way to install the GROMACS molecular dynamics package on Windows and Linux operating systems. And then I show you how you can compile a special version of GROMACS with GPU support. I also provide you with a sample simulation input file, through which you can test your installation. To get the GROMACS test simulation input files, click this link: You can also copy and paste commands from the above link if you feel lazy to type them. Chapters: 00:00 Introduction 00:42 Install GROMACS on Ubuntu 04:11 Running a test GROMACS simulation on Linux 08:09 Install GROMACS on Windows 12:23 Running a test GROMACS simulation on Linux 17:20 Installing GROMACS with GPU support

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