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. Author manuscript; available in PMC: 2015 Jul 21.
Published in final edited form as: Phys Rev B Condens Matter Mater Phys. 2011 Jun 20;83(24):245406. doi: 10.1103/PhysRevB.83.245406

Fig. 4.

Fig. 4

Comparison of time dependence of RMS deviation relative to various reference structures in coarse-grained and all-atom molecular dynamics simulations of a 12 base-pair DNA fragment at T=300K. (a) 12CG model simulation. RMSd is relative to the first frame. (b) All-atom model simulation. RMSd is relative to the first frame, (c) 12CG model simulation. RMSd is relative to B-DNA X-ray structure81. For all-atom structures the RMSd is computed only for the subset of atoms that define grain centers in the corresponding CG model.