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. Author manuscript; available in PMC: 2014 Aug 13.
Published in final edited form as: J Chem Theory Comput. 2013 Jun 25;9(8):3769–3788. doi: 10.1021/ct400230y

Figure 17.

Figure 17

Helical content of the (AAQAA)3 peptide as a function of temperature calculated from PRIMO-REMD simulations with CMAPs based on CHARMM22 (green, triangles) and CHARMM36 force fields (blue, circles) and from experiment (red, line).