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Helicoidal parameter probability distributions from the 200 ns MD simulations of EcoR1 using the C36 (blue) and Drude (green) force fields. Included are corresponding distributions from a NDB survey (red) of all B form structures with a resolution ≤ 2.5 Å. Drude and C36 distributions are based on analysis of MD trajectory snapshots saved every 4 ps (50,000 frames in total); bin sizes for distances and angles are 0.4 Å and 5 degrees, respectively.
