Skip to main content
. 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 6.

Figure 6

Maximum flux transition path and minimum free energy path for alanine dipeptide from C7eq to C7eq passing by C7ax in vacuum at 300 K. The figure is generated using 40 images. Triangles are the images for 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. The contour lines are separated by 0.6 kcal/mol.