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grid_points_dftb3.dat
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grid_points_dftb3.dat
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#Table S2: Grid points of correction profiles (MP2-DFTB3)
#Zx Zy dA dC dG dT rA rC rG rU
-60.0 -60.0 -4.8 -4.1 -4.6 -3.7 -6.3 -6.2 -6.5 -6.1
-60.0 -54.0 -5.2 -4.5 -5.0 -4.1 -5.5 -5.3 -5.6 -5.1
-60.0 -48.0 -5.4 -4.8 -5.2 -4.6 -4.9 -4.7 -5.0 -4.5
-60.0 -42.0 -5.6 -5.0 -5.4 -4.8 -4.7 -4.4 -4.8 -4.3
-60.0 -36.0 -5.8 -5.2 -5.7 -5.0 -4.5 -4.3 -4.6 -4.2
-60.0 -30.0 -5.9 -5.4 -5.9 -5.2 -4.3 -4.1 -4.5 -4.1
-60.0 -24.0 -6.1 -5.6 -6.1 -5.4 -4.1 -4.0 -4.4 -4.0
-60.0 -18.0 -6.2 -5.9 -6.2 -5.7 -3.8 -3.8 -4.2 -3.9
-60.0 -12.0 -6.3 -6.0 -6.3 -5.9 -3.5 -3.7 -4.0 -3.8
-60.0 -6.0 -6.1 -6.1 -6.2 -5.9 -3.3 -3.5 -3.8 -3.7
-60.0 0.0 -6.0 -6.0 -6.0 -5.8 -3.0 -3.4 -3.6 -3.7
-60.0 6.0 -5.8 -5.8 -5.8 -5.6 -2.9 -3.4 -3.5 -3.7
-60.0 12.0 -5.6 -5.6 -5.6 -5.4 -2.8 -3.4 -3.4 -3.7
-60.0 18.0 -5.5 -5.5 -5.5 -5.3 -2.7 -3.5 -3.4 -3.9
-60.0 24.0 -5.4 -5.5 -5.4 -5.2 -2.8 -3.7 -3.5 -4.1
-60.0 30.0 -5.4 -5.6 -5.5 -5.3 -3.0 -4.1 -3.7 -4.5
-60.0 36.0 -5.6 -5.8 -5.7 -5.4 -3.3 -4.5 -4.1 -4.9
-60.0 42.0 -5.9 -6.1 -6.0 -5.7 -3.8 -5.1 -4.5 -5.5
-60.0 48.0 -6.4 -6.6 -6.4 -6.2 -4.3 -5.7 -5.1 -6.2
-60.0 54.0 -7.1 -7.4 -7.2 -6.9 -5.2 -6.6 -5.9 -7.1
-60.0 60.0 -8.1 -8.3 -8.1 -7.8 -6.2 -7.6 -7.0 -8.1
-54.0 -60.0 -5.3 -4.5 -5.1 -4.1 -6.1 -6.0 -6.2 -5.8
-54.0 -54.0 -5.5 -4.7 -5.3 -4.3 -5.5 -5.2 -5.5 -5.0
-54.0 -48.0 -5.7 -4.9 -5.5 -4.7 -5.1 -4.8 -5.1 -4.6
-54.0 -42.0 -5.8 -5.1 -5.7 -4.9 -4.9 -4.6 -4.9 -4.4
-54.0 -36.0 -5.9 -5.2 -5.8 -5.0 -4.8 -4.4 -4.8 -4.3
-54.0 -30.0 -6.0 -5.4 -5.9 -5.2 -4.6 -4.3 -4.6 -4.2
-54.0 -24.0 -6.1 -5.6 -6.0 -5.4 -4.3 -4.0 -4.4 -4.0
-54.0 -18.0 -6.2 -5.7 -6.2 -5.6 -3.9 -3.8 -4.2 -3.8
-54.0 -12.0 -6.2 -5.9 -6.2 -5.7 -3.5 -3.6 -3.9 -3.7
-54.0 -6.0 -6.1 -6.0 -6.1 -5.9 -3.2 -3.4 -3.6 -3.5
-54.0 0.0 -5.9 -5.9 -6.0 -5.8 -3.0 -3.3 -3.4 -3.5
-54.0 6.0 -5.7 -5.8 -5.8 -5.7 -2.8 -3.2 -3.3 -3.5
-54.0 12.0 -5.6 -5.7 -5.6 -5.5 -2.7 -3.3 -3.2 -3.6
-54.0 18.0 -5.5 -5.6 -5.5 -5.3 -2.7 -3.4 -3.3 -3.7
-54.0 24.0 -5.4 -5.5 -5.5 -5.3 -2.7 -3.6 -3.4 -4.0
-54.0 30.0 -5.4 -5.6 -5.5 -5.3 -2.9 -4.0 -3.6 -4.3
-54.0 36.0 -5.5 -5.7 -5.6 -5.4 -3.2 -4.4 -3.9 -4.7
-54.0 42.0 -5.8 -6.0 -5.8 -5.6 -3.5 -4.9 -4.3 -5.3
-54.0 48.0 -6.1 -6.3 -6.2 -5.9 -4.0 -5.5 -4.8 -5.9
-54.0 54.0 -6.6 -6.9 -6.7 -6.4 -4.7 -6.2 -5.4 -6.6
-54.0 60.0 -7.5 -7.7 -7.5 -7.3 -5.6 -7.1 -6.3 -7.6
-48.0 -60.0 -5.8 -4.9 -5.5 -4.4 -6.0 -5.9 -6.1 -5.7
-48.0 -54.0 -5.9 -5.1 -5.6 -4.5 -5.5 -5.3 -5.5 -5.1
-48.0 -48.0 -6.1 -5.2 -5.8 -4.7 -5.3 -5.0 -5.3 -4.8
-48.0 -42.0 -6.1 -5.3 -5.9 -5.1 -5.2 -4.7 -5.1 -4.6
-48.0 -36.0 -6.1 -5.3 -6.0 -5.1 -5.0 -4.5 -4.9 -4.5
-48.0 -30.0 -6.1 -5.4 -6.0 -5.2 -4.8 -4.3 -4.7 -4.3
-48.0 -24.0 -6.1 -5.4 -6.0 -5.3 -4.5 -4.1 -4.5 -4.0
-48.0 -18.0 -6.1 -5.5 -6.0 -5.4 -4.1 -3.8 -4.1 -3.8
-48.0 -12.0 -6.1 -5.6 -6.1 -5.3 -3.6 -3.5 -3.8 -3.5
-48.0 -6.0 -6.0 -5.7 -6.0 -5.4 -3.2 -3.3 -3.5 -3.3
-48.0 0.0 -5.8 -5.8 -5.8 -5.5 -2.9 -3.1 -3.2 -3.2
-48.0 6.0 -5.6 -5.7 -5.7 -5.6 -2.7 -3.1 -3.1 -3.2
-48.0 12.0 -5.5 -5.6 -5.5 -5.5 -2.5 -3.1 -3.0 -3.3
-48.0 18.0 -5.4 -5.5 -5.4 -5.3 -2.5 -3.2 -3.1 -3.5
-48.0 24.0 -5.4 -5.5 -5.4 -5.3 -2.6 -3.5 -3.2 -3.8
-48.0 30.0 -5.4 -5.5 -5.4 -5.3 -2.8 -3.8 -3.4 -4.1
-48.0 36.0 -5.4 -5.6 -5.5 -5.3 -3.0 -4.2 -3.7 -4.6
-48.0 42.0 -5.6 -5.8 -5.6 -5.4 -3.4 -4.7 -4.1 -5.1
-48.0 48.0 -5.8 -6.0 -5.9 -5.7 -3.7 -5.2 -4.5 -5.6
-48.0 54.0 -6.2 -6.5 -6.3 -6.0 -4.3 -5.8 -5.0 -6.2
-48.0 60.0 -6.8 -7.1 -6.9 -6.7 -5.0 -6.6 -5.8 -7.0
-42.0 -60.0 -6.2 -5.2 -5.9 -4.7 -5.9 -6.0 -6.0 -5.7
-42.0 -54.0 -6.3 -5.3 -6.1 -4.8 -5.6 -5.4 -5.6 -5.2
-42.0 -48.0 -6.4 -5.5 -6.2 -5.0 -5.5 -5.1 -5.4 -5.0
-42.0 -42.0 -6.4 -5.4 -6.2 -5.2 -5.3 -4.9 -5.2 -4.8
-42.0 -36.0 -6.3 -5.4 -6.1 -5.2 -5.1 -4.6 -5.0 -4.5
-42.0 -30.0 -6.1 -5.3 -6.0 -5.1 -4.9 -4.3 -4.7 -4.3
-42.0 -24.0 -6.0 -5.2 -5.8 -5.0 -4.5 -4.0 -4.4 -4.0
-42.0 -18.0 -5.8 -5.1 -5.7 -5.0 -4.1 -3.6 -4.0 -3.6
-42.0 -12.0 -5.7 -5.2 -5.7 -5.0 -3.6 -3.3 -3.6 -3.3
-42.0 -6.0 -5.6 -5.3 -5.6 -5.2 -3.1 -3.0 -3.3 -3.0
-42.0 0.0 -5.5 -5.4 -5.5 -5.1 -2.7 -2.8 -3.0 -2.9
-42.0 6.0 -5.3 -5.4 -5.3 -5.1 -2.4 -2.7 -2.8 -2.8
-42.0 12.0 -5.2 -5.3 -5.2 -5.2 -2.3 -2.8 -2.7 -2.9
-42.0 18.0 -5.1 -5.2 -5.1 -4.9 -2.3 -2.9 -2.8 -3.1
-42.0 24.0 -5.1 -5.2 -5.1 -4.8 -2.4 -3.2 -2.9 -3.4
-42.0 30.0 -5.1 -5.2 -5.1 -5.0 -2.5 -3.5 -3.1 -3.8
-42.0 36.0 -5.1 -5.3 -5.2 -5.0 -2.8 -3.9 -3.4 -4.2
-42.0 42.0 -5.2 -5.5 -5.3 -5.1 -3.1 -4.4 -3.7 -4.7
-42.0 48.0 -5.4 -5.7 -5.5 -5.3 -3.4 -4.9 -4.1 -5.2
-42.0 54.0 -5.8 -6.0 -5.8 -5.6 -3.8 -5.4 -4.6 -5.8
-42.0 60.0 -6.3 -6.6 -6.4 -6.2 -4.4 -6.1 -5.2 -6.5
-36.0 -60.0 -6.7 -5.6 -6.3 -5.0 -5.8 -6.1 -5.9 -5.8
-36.0 -54.0 -6.8 -5.6 -6.4 -5.1 -5.6 -5.6 -5.6 -5.4
-36.0 -48.0 -6.7 -5.6 -6.5 -5.1 -5.4 -5.2 -5.4 -5.1
-36.0 -42.0 -6.6 -5.5 -6.3 -5.1 -5.3 -4.9 -5.2 -4.8
-36.0 -36.0 -6.3 -5.3 -6.1 -5.1 -5.1 -4.6 -4.9 -4.5
-36.0 -30.0 -6.0 -5.0 -5.8 -4.8 -4.8 -4.2 -4.6 -4.2
-36.0 -24.0 -5.7 -4.8 -5.5 -4.6 -4.4 -3.8 -4.3 -3.8
-36.0 -18.0 -5.4 -4.6 -5.3 -4.5 -4.0 -3.4 -3.8 -3.4
-36.0 -12.0 -5.2 -4.6 -5.2 -4.4 -3.5 -3.0 -3.4 -3.0
-36.0 -6.0 -5.1 -4.6 -5.1 -4.5 -3.0 -2.7 -3.0 -2.7
-36.0 0.0 -5.0 -4.7 -5.0 -4.5 -2.5 -2.4 -2.6 -2.5
-36.0 6.0 -4.8 -4.8 -4.8 -4.7 -2.2 -2.3 -2.4 -2.4
-36.0 12.0 -4.6 -4.8 -4.7 -4.7 -2.0 -2.3 -2.3 -2.4
-36.0 18.0 -4.5 -4.7 -4.5 -4.5 -1.9 -2.4 -2.3 -2.6
-36.0 24.0 -4.4 -4.6 -4.5 -4.4 -2.0 -2.6 -2.4 -2.8
-36.0 30.0 -4.5 -4.6 -4.5 -4.4 -2.1 -3.0 -2.6 -3.2
-36.0 36.0 -4.5 -4.7 -4.6 -4.4 -2.3 -3.4 -2.9 -3.6
-36.0 42.0 -4.7 -4.9 -4.8 -4.6 -2.6 -3.8 -3.2 -4.1
-36.0 48.0 -4.9 -5.1 -5.0 -4.8 -2.9 -4.4 -3.6 -4.6
-36.0 54.0 -5.3 -5.5 -5.4 -5.1 -3.3 -4.9 -4.0 -5.2
-36.0 60.0 -5.8 -6.1 -5.9 -5.6 -3.9 -5.6 -4.7 -5.9
-30.0 -60.0 -7.0 -5.8 -6.7 -5.3 -5.5 -6.1 -5.7 -5.8
-30.0 -54.0 -7.0 -5.8 -6.7 -5.2 -5.4 -5.6 -5.4 -5.4
-30.0 -48.0 -6.9 -5.7 -6.6 -5.1 -5.2 -5.2 -5.2 -5.1
-30.0 -42.0 -6.6 -5.4 -6.3 -5.0 -5.1 -4.8 -5.0 -4.8
-30.0 -36.0 -6.2 -5.0 -5.9 -4.6 -4.9 -4.5 -4.7 -4.4
-30.0 -30.0 -5.7 -4.6 -5.5 -4.4 -4.6 -4.0 -4.4 -4.0
-30.0 -24.0 -5.2 -4.2 -5.1 -4.0 -4.2 -3.6 -4.0 -3.6
-30.0 -18.0 -4.8 -3.9 -4.7 -3.8 -3.8 -3.1 -3.6 -3.1
-30.0 -12.0 -4.6 -3.8 -4.5 -3.5 -3.3 -2.7 -3.1 -2.7
-30.0 -6.0 -4.4 -3.8 -4.4 -3.7 -2.8 -2.3 -2.7 -2.3
-30.0 0.0 -4.3 -3.9 -4.3 -3.6 -2.3 -2.0 -2.3 -2.0
-30.0 6.0 -4.1 -4.0 -4.1 -3.9 -1.9 -1.8 -2.0 -1.9
-30.0 12.0 -3.8 -4.0 -3.9 -3.9 -1.6 -1.8 -1.8 -1.8
-30.0 18.0 -3.7 -3.8 -3.7 -3.8 -1.4 -1.8 -1.7 -1.9
-30.0 24.0 -3.6 -3.8 -3.6 -3.6 -1.4 -2.0 -1.8 -2.1
-30.0 30.0 -3.6 -3.8 -3.7 -3.6 -1.5 -2.2 -1.9 -2.4
-30.0 36.0 -3.8 -4.0 -3.8 -3.7 -1.7 -2.6 -2.2 -2.8
-30.0 42.0 -4.0 -4.2 -4.1 -3.9 -2.0 -3.1 -2.5 -3.3
-30.0 48.0 -4.3 -4.5 -4.4 -4.2 -2.4 -3.7 -3.0 -3.9
-30.0 54.0 -4.8 -4.9 -4.8 -4.6 -2.8 -4.3 -3.5 -4.6
-30.0 60.0 -5.3 -5.5 -5.4 -5.1 -3.4 -5.0 -4.1 -5.3
-24.0 -60.0 -7.0 -6.4 -6.6 -5.7 -5.2 -6.0 -5.3 -5.6
-24.0 -54.0 -7.0 -6.1 -6.8 -5.5 -4.9 -5.5 -5.0 -5.2
-24.0 -48.0 -6.9 -5.5 -6.6 -5.0 -4.8 -5.1 -4.8 -4.9
-24.0 -42.0 -6.4 -5.1 -6.1 -4.6 -4.7 -4.7 -4.6 -4.6
-24.0 -36.0 -5.8 -4.6 -5.6 -4.2 -4.5 -4.3 -4.3 -4.2
-24.0 -30.0 -5.2 -4.0 -5.0 -3.7 -4.2 -3.8 -4.0 -3.8
-24.0 -24.0 -4.6 -3.5 -4.5 -3.3 -4.0 -3.3 -3.7 -3.4
-24.0 -18.0 -4.1 -3.1 -4.0 -3.0 -3.6 -2.9 -3.3 -2.9
-24.0 -12.0 -3.8 -2.9 -3.7 -2.8 -3.1 -2.4 -2.9 -2.4
-24.0 -6.0 -3.5 -2.9 -3.5 -2.6 -2.6 -1.9 -2.4 -1.9
-24.0 0.0 -3.4 -2.9 -3.4 -2.8 -2.0 -1.6 -2.0 -1.6
-24.0 6.0 -3.2 -3.1 -3.2 -2.8 -1.5 -1.4 -1.6 -1.4
-24.0 12.0 -2.9 -3.0 -2.9 -2.8 -1.1 -1.2 -1.3 -1.2
-24.0 18.0 -2.7 -2.9 -2.7 -2.8 -0.9 -1.2 -1.1 -1.2
-24.0 24.0 -2.6 -2.8 -2.6 -2.7 -0.8 -1.2 -1.1 -1.3
-24.0 30.0 -2.7 -2.9 -2.7 -2.7 -0.8 -1.5 -1.2 -1.6
-24.0 36.0 -2.9 -3.1 -3.0 -2.9 -1.1 -1.8 -1.5 -2.0
-24.0 42.0 -3.3 -3.5 -3.3 -3.2 -1.4 -2.4 -1.8 -2.5
-24.0 48.0 -3.7 -3.9 -3.8 -3.6 -1.8 -3.0 -2.3 -3.2
-24.0 54.0 -4.2 -4.4 -4.3 -4.0 -2.3 -3.7 -2.9 -3.9
-24.0 60.0 -4.8 -5.0 -4.9 -4.6 -2.9 -4.4 -3.5 -4.7
-18.0 -60.0 -7.0 -6.0 -7.0 -5.4 -4.6 -5.6 -4.8 -5.1
-18.0 -54.0 -7.0 -6.0 -6.9 -5.4 -4.4 -5.2 -4.4 -4.8
-18.0 -48.0 -6.6 -5.4 -6.5 -4.9 -4.2 -4.8 -4.2 -4.5
-18.0 -42.0 -6.0 -4.7 -5.8 -4.2 -4.1 -4.4 -4.0 -4.2
-18.0 -36.0 -5.3 -4.1 -5.1 -3.6 -3.9 -4.0 -3.8 -3.9
-18.0 -30.0 -4.6 -3.4 -4.4 -3.0 -3.8 -3.5 -3.6 -3.5
-18.0 -24.0 -3.9 -2.7 -3.7 -2.6 -3.5 -3.0 -3.3 -3.1
-18.0 -18.0 -3.3 -2.3 -3.2 -2.1 -3.2 -2.5 -3.0 -2.6
-18.0 -12.0 -2.9 -2.0 -2.8 -1.9 -2.8 -2.0 -2.6 -2.1
-18.0 -6.0 -2.6 -1.9 -2.6 -1.8 -2.3 -1.5 -2.1 -1.5
-18.0 0.0 -2.4 -1.9 -2.4 -1.7 -1.8 -1.1 -1.6 -1.1
-18.0 6.0 -2.2 -2.1 -2.2 -2.0 -1.2 -0.8 -1.2 -0.9
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