hands-on tutorial

Hands-on for 'Running molecular dynamics simulations using GROMACS' tutorial

The questions this addresses are:
- How do I use the GROMACS engine in Galaxy?
- What is the correct procedure for performing a simple molecular dynamics simulation of a protein?

The objectives are:
- Learn about the GROMACS engine provided via Galaxy.
- Understand the structure of the molecular dynamics workflow.
- Prepare a short (1 ns) trajectory for a simulation of a protein.

Licence: Creative Commons Attribution 4.0 International

Keywords: computational-chemistry

Target audience: Students

Resource type: hands-on tutorial

Authors: Simon Bray

Contributors: Simon Bray

Scientific topics: Computational chemistry


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