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. Author manuscript; available in PMC: 2015 Jun 15.
Published in final edited form as: J Comput Chem. 2014 Apr 18;35(16):1219–1239. doi: 10.1002/jcc.23611

Figure 13.

Figure 13

Dipole moments of the nucleic acid bases as functions of simulation time (left) and the corresponding probability distribution functions (right) from MD simulations of EcoR1 using C36 and Drude force fields. Time series are running averages over 200 windows, each of 1 ns. Distribution functions are from the actual MD simulation time series (time interval 4 ps, bin size for dipole moments 0.1 D). Data presented for 4 adenine, 8 cytosine, 8 guanine, and 4 thymine bases.