The purpose of this tutorial is to introduce the Amber GPU Molecular Dynamic (MD) Kepler workflow developed by NBCR and WorDS through the support from NVidia. This workflow seeks to automate the Amber MD job submission in either a GPU cluster or on a local machine. It serves as a tool to run Amber Molecular Dynamic for experienced users and an introduction to Amber and Kepler for new users. The workflow is built using the Kepler platform. To start, a local installation of the latest Kepler software is required.
The purpose of this tutorial is to introduce the Amber GPU Molecular Dynamic (MD) Kepler workflow developed by NBCR and WorDS through the support from NVidia. This workflow seeks to automate the Amber MD job submission in either a GPU cluster or on a local machine. It serves as a tool to run Amber Molecular Dynamic for experienced users and an introduction to Amber and Kepler for new users. The workflow is built using the Kepler platform. To start, a local installation of the latest Kepler software is required.