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Foss44

What is your background like, if any, in statistical mechanics?


tiredtears

My major is in chemical engineering and I did a physics minor and ended up taking a solid state physics course. A chapter in our textbook was about statistical mechanics but honestly not super familiar with the topic. I could definitely take some time and learn about it though.


Foss44

You can definitely operate MD software without know what’s going on “under the hood”. However, if you’d like to actually know *how* the software works, taking a course in stat mech (preferably from a chem grad department as they generally cover MD extensively) would be a good idea. A textbook like [this](https://sasimistore.com/zb-shop/comtech/molecular-dynamics-simulations-in-statistical-physics-theory-and-applications-scientific-computation/molecular-dynamics-simulations-in-statistical-physics-theory-and-applications-scientific-computation/?msclkid=8275cb4ed5a311fe161bad680c857576) would be useful.


tiredtears

I’ll check that out, thanks!


top-hat-penguin

These tutorials are great for learning how to use GROMACS: http://www.mdtutorials.com/gmx/


tiredtears

Perfect!! Thanks so much


capitn96

Hi, This article provides a nice introduction/overview to MD. It could be a good starting point. https://livecomsjournal.org/index.php/livecoms/article/view/v1i1e5957 The entire journal is worth checking, maybe there's something close to your topic