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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 4.

Figure 4

Maximum flux transition path obtained using the semi-implicit simplified string method. Here we used the same initial path and the same stopping criterion for convergence as for Figure 3. The MFTPs are generated using 20 images at 3 K, 30 K, 300 K, 3000 K, 30000 K, respectively (which roughly correspond to β−1 = 0.006,0.06,0.6,6,60 kcal/mol.) The contour lines are separated by 0.25 kcal/mol.