[gmx-users] regarding converge of system

ahmet yıldırım ahmedo047 at gmail.com
Thu Nov 1 14:29:35 CET 2012


Hi,

I have two questions:

1-We can say "The RMSD is commonly used as an indicator of convergence
of the structure towards an equilibrium state (Tsjerk W.)". RMSD is
not sufficient to determine whether or not converge of
structure/system. Why?

2-Radius of gyration, RMSD, rmsd matrix are used as an indicator of
convergence of the structure. are there other indicators of
convergence of the structure?

Thanks in advance

--
Ahmet Yıldırım



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