GROMACS Tutorial

Lysozyme in Water

Justin Lemkul
Department of Biochemistry, Virginia Tech


This example will guide a new user through the process of setting up a simulation system containing a protein (lysozyme) in a box of water, with ions. Each step will contain an explanation of input and output, using typical settings for general use.

This tutorial assumes you are using a GROMACS version in the 4.5.x series.

Start the tutorial!

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