Equilibration
GROMACS NVT and NPT Equilibration: A Step-by-Step Guide for Beginners
Run NVT then NPT equilibration in GROMACS with the exact commands, .mdp settings, and convergence checks. Learn why both phases matter and how to fix crashes.
How Long Should You Run an MD Simulation? (And How to Know It Has Equilibrated)
Pick a defensible MD simulation length and prove equilibration from RMSD, energy, temperature and pressure plateaus. Read the decision guide.