Software Gromacs-WeNMR | EGI Applications Database

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Name:Gromacs-WeNMR

Description:Gromacs web portal

Abstract:The WeNMR GROMACS web server provides an entry point for molecular dynamics on the GRID. GROMACS is a versitile package to perform molecular dynamics, i.e simulate the Newtonian equations of motion for systems with hundreds to millions of particles. GROMACS is able to work with many biochemical molecules like proteins, lipids and nucleic acids. The WeNMR GROMACS webportal combines the versitility of this molecular dynamics package with the calculation power of the eNMR grid. This will enable you to perform many simulations from the comfort of your internet browser anywhere in the world. The server is furthermore aimed to provide a user friendly and efficient MD experience by performing many preperation and optimization steps automatically.