#include <BALL/MOLMEC/MMFF94/MMFF94NonBonded.h>
Detailed Description
Definition at line 36 of file MMFF94NonBonded.h.
Constructor & Destructor Documentation
BALL::MMFF94NonBonded::NonBondedPairData::NonBondedPairData |
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Member Data Documentation
double BALL::MMFF94NonBonded::NonBondedPairData::eij |
double BALL::MMFF94NonBonded::NonBondedPairData::es_energy |
bool BALL::MMFF94NonBonded::NonBondedPairData::is_1_4 |
double BALL::MMFF94NonBonded::NonBondedPairData::qi |
double BALL::MMFF94NonBonded::NonBondedPairData::qj |
double BALL::MMFF94NonBonded::NonBondedPairData::rij |
double BALL::MMFF94NonBonded::NonBondedPairData::rij_7 |
double BALL::MMFF94NonBonded::NonBondedPairData::vdw_energy |