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. Author manuscript; available in PMC: 2015 May 7.
Published in final edited form as: J Comput Chem. 2008 Mar;29(4):622–655. doi: 10.1002/jcc.20820

Figure 4.

Figure 4

Differences in average molecular mechanical energies from MD simulation data (1 ns) for the 4C1 and 1C4 chair forms as a function of the V1 coefficient for the OH—CG—CG—OH atomic sequence in α-D-mannopyranose (upper), and α-D-idopyranose (lower).