Which simulation package "dl_poly vs lammps" is best for learning Molecular Dynamic Simulations as a beginner? Suggestions for other user-friendly simulation packages will be highly appreciated. Thanks
Dear Muhammad,
Gromacs is a user-friendly Molecular Dynamic package with several tutorials that allow you to check you are doing well.
http://www.mdtutorials.com/gmx/
Basically what I would highly recommend is to simultaneously read about MD simulations and follow exercises, which can be found in books such as Allen, Tildesley "Computer Simulation of Liquids". This particular book is awesome, becase it provides a lot of simulation source codes (MD, MC, analysis of the data and more) so besides of just theory, you can "play" with some parameters and see what happens. (https://github.com/Allen-Tildesley/examples)
After having some decent background you can go further into learning the package itself, because you will better understand both the MD method, the package glossary and you will be more comfortable with what you are really doing and you can experiment even further.
Good luck!
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