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. Author manuscript; available in PMC: 2014 Apr 9.
Published in final edited form as: J Chem Theory Comput. 2013 Aug 2;9(9):4140–4154. doi: 10.1021/ct400469w

Figure 13. Representative conformations of β-D mannose along the C14 to C41 isomerization.

Figure 13

The figure shows the projections of the atomic mean-force vectors for representative images along the final string. The vectors shown are defined as fi=fiΔxifiΔxifi, i.e. they are the atomic mean forces along the displacement vector along the path. For clarity, only forces of magnitude larger than 400 kJoule/nm are displayed.