Software: Gromacs & VMD
You first need to obtain the Gromacs and VMD programs and install them on your computer.
They are available from their websites:
If you are lucky someone already set those up for you and you are ready to start.
Otherwise use your favourite search engine to teach yourself how to obtain, compile and install Gromacs and VMD.
This tutorial is supposed to work with Gromacs 5.0 or later and VMD 1.9 or later, but might work (with modifications) with other versions as well
(Be aware that Gromacs versions before 4.6 are considered ancient, though).
You should also make sure to have the following documents at your disposal:
- Gromacs Online Reference:
Quick help for all Gromacs tools, as well as an explanation of every parameter for the
*.mdp files.
- Gromacs Manual:
Detailed description of the internals of Gromacs, contains an excellent collection of References.
- VMD User's Guide:
Gets you started with VMD usage and scripting.
- VMD Documentation:
FAQ, Manuals, tutorials, installation instructions, etc.