[gmx-users] How to justify when the trajectory reached equilibrium
lvqingjiejie at 163.com
Thu Jul 9 04:04:03 CEST 2015
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,
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