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Steboss/new_absolute_val.csv

Created April 19, 2018 09:50
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new_absolute_val.csv
Solute AMBER CHARMM GROMACS SOMD
methane 2.47(1) 2.48(1) 2.44(1) 2.52(2)
methanol -3.73(1) -3.71(1) -3.51(1) -3.70(5)
ethane 2.50(1) 2.50(1) 2.48(1) 2.56(1)
toluene -0.72(1) -0.64(1) -0.72(1) -0.55(2)
neopentane 2.61(1) 2.58(1) 2.63(1) 2.71(6)
2-methylfuran -0.49(1) -0.42(1) -0.51(1) -0.39(2)
2-methylindole -6.24(2) -6.05(1) -6.35(1) -6.06(3)
2-CPI -6.05(3) -6.17(3) -6.54(1) -6.14(9)
7-CPI -5.66(3) -6.27(2) -6.52(2) -6.10(9)
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