Hi ALL, In order to see the convergence of a trajectory I am trying to calculate the RMSD error estimate using block averaging method which is implemented using g_analyze with -ee option. In it can I manually provide the block size or is it calculated based on the total simulation time? Another thing, is this method same as the block average RMSD method outlined by Alan Grossfield in JCTC 2011:7;2464-2472, in order to test convergence of a trajectory? Any suggestion is welcome.
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