GROMACS Tutorial

Lysozyme in Water

Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry

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 2018.x series.

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