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. Author manuscript; available in PMC: 2011 Aug 10.
Published in final edited form as: J Chem Theory Comput. 2010 Aug 10;6(8):2411–2423. doi: 10.1021/ct900689m

Figure 5.

Figure 5

Maximum flux transition path and minimum free energy path from C7eq to C7ax for alanine dipeptide in vacuum at 300 K. Triangles are images of the initial path; rectangles are the images of the maximum flux transition path; and circles are the images of the minimum free energy path. The contours are those for the zero-temperature free energy (adiabatic energy). The contour lines are separated by 0.6 kcal/mol.