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. 2015 Jun 11;25(1):87–102. doi: 10.1002/pro.2713

Figure 2.

Figure 2

RMSD for four different force field simulations and comparison with solution simulation. Left hand panel shows backbone atom RMSD; middle panel shows all heavy atom RMSD. Dotted lines show best‐fit and solid lines show lattice RMSD (see text and Ref. 17 for more details). Black line in right panel represents the best‐fit backbone RMSD of the liquid state simulation (ff14SB_solv). Colored lines show the best‐fit backbone RMSD of each monomer in the ff14SB crystal simulation. The final 1000 ns of each simulation are shown (first 160–180 ns of each simulation were discarded to allow the systems to equilibrate).