8 #ifndef MOLECULARMECHANICS_SFAMCALCULATORSETTINGS_H
9 #define MOLECULARMECHANICS_SFAMCALCULATORSETTINGS_H
14 namespace MolecularMechanics {
26 using namespace SwooseUtilities;
27 SettingsPopulator::addSfamAtomTypeLevel(_fields);
28 SettingsPopulator::addPrintContributionsMolecularMechanicsOption(_fields);
29 SettingsPopulator::addOnlyCalculateBondedContribution(_fields);
30 SettingsPopulator::addParameterAndConnectivityFile(_fields);
31 SettingsPopulator::addDetectBondsWithCovalentRadiiOption(_fields);
32 SettingsPopulator::addNonCovalentCutoffRadius(_fields);
33 SettingsPopulator::addHydrogenBondCorrection(_fields);
34 SettingsPopulator::addApplyCutoffDuringInitializationOption(_fields);
42 #endif // MOLECULARMECHANICS_SFAMCALCULATORSETTINGS_H
SfamCalculatorSettings()
Constructor that populates the SfamCalculatorSettings.
Definition: SfamCalculatorSettings.h:25
Settings for SFAM molecular mechanics calculations.
Definition: SfamCalculatorSettings.h:20