Sciencemadness Discussion Board

Anyone here experienced with GROMACS?

Cou - 4-12-2016 at 13:02

It's the best simulator for molecular dynamics, showing both intermolecular and intramolecular interactions, down to the vibration and rotation within a molecule.

Problem is that it's not user friendly at all. And due to its obscurity outside of academia, very few helpful tutorials, lots of dead links.