[gmx-users] How to justify when the trajectory reached equilibrium

[Qing Lv]

Hi,

I did a 70-ns MD simulation. I wonder how to justify when the trajectory reached equilibrium...
Seen from RMSD-time curve of C-alpha, the curve reached about 1 nm at 12 ns and kept stable after that. Could I justify that the system reached equilibrium at 12 ns? Are there any methods/criteria to justify the equilibrium other than RMSD evolution?

Thanks a lot,
Qing