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. 2016 Feb 3;37(10):896–912. doi: 10.1002/jcc.24307

Table 2.

Dipole moment deviations between QM and MM.

Magnitude difference (%) Angle difference (°)
All Base Model All Base Model
ADa 10.2 10.0 11.1 12.3 13.8 3.8
AADb 15.4 16.2 11.1 12.3 13.8 3.8
RMSDc 22.6 23.9 12.2 15.9 17.1 5.1
a

AD: average difference.

b

AAD: average of absolute deviation.

c

RMSD: root mean square deviation.