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Analysis of results for the 4th ns of SGLD (black) and MD (red) simulations of the form: A) Ensemble averaged secondary structure content B) Ensemble average RMSDs between the initial structure and simulation snapshots. Green line is showing RMSD values between two NMR structures of the active form. C) RMSFs of average structures of individual simulations. D) Ensemble average of RMSFs of individual simulations.
