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
Contributors: Simon Bray
Scientific topics: Computational chemistry
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