Table 1.

Charges of the nucleobase atoms in the revised force field

BaseAtomCharges
AMBER ff14Revised
CN4−0.9530−0.8716
H41/H42+0.4234+0.3827
UN3−0.3549−0.3913
H3+0.3154+0.3518
GN1−0.4787−0.5606
H1+0.3424+0.4243
N2−0.9672−1.0158
H21/H22+0.4364+0.4607
AN1−0.7615−0.7969
H2+0.0473+0.0650
N6−0.9019−1.0088
H61/H62+0.4115+0.4738
  • Unlisted atoms have unchanged charges.