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. Author manuscript; available in PMC: 2011 Jun 15.
Published in final edited form as: J Phys Chem B. 2009 Jul 2;113(26):9004–9015. doi: 10.1021/jp901540t

Figure 6.

Figure 6

Quality of LR fit to simulations of Ac-(AAQAA)3-NH2. (A) The average fraction helix 〈fh〉, with simulation data as symbols and model predictions as solid lines (blue: ff03, red: ff99SB, black: ff03*, orange: ff99SB*). (B) The average number of “helical segments”, 〈ns〉, with simulation data as symbols and model predictions as solid lines; broken lines give the prediction using the approximate expression 〈ns〉 ≈ Σi∂lnZ/∂lnv12i. (C) Fraction of helix for each residue in the 303 K replica, symbols and lines as above.