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GVector org::openscience::cdk::modeling::forcefield::Torsions::get2ndOrderErrorApproximateGradientMMFF94SumET (  ) [inline]

Get the 2nd order error approximate gradient of the torsion term.

torsion approximate gradient value

Definition at line 375 of file Torsions.java.

Referenced by org::openscience::cdk::modeling::forcefield::MMFF94EnergyFunction::setEnergyGradient().

            return order2ndErrorApproximateGradientMMFF94SumET;

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