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Only use the obmm interface as a backup - prefer Python scripts
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Signed-off-by: Geoff Hutchison <[email protected]>
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ghutchis committed Feb 3, 2024
1 parent 023c63b commit a6e57d4
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions avogadro/qtplugins/forcefield/forcefield.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -61,13 +61,13 @@ Forcefield::Forcefield(QObject* parent_)
m_gradientTolerance = settings.value("gradientTolerance", 1.0e-4).toDouble();
settings.endGroup();

refreshScripts();

// add the openbabel calculators in case they don't exist
Calc::EnergyManager::registerModel(new OBMMEnergy("MMFF94"));
Calc::EnergyManager::registerModel(new OBMMEnergy("UFF"));
Calc::EnergyManager::registerModel(new OBMMEnergy("GAFF"));

refreshScripts();

QAction* action = new QAction(this);
action->setEnabled(true);
action->setText(tr("Optimize"));
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