source: tests/Examples/PartialChargeFitting/pre@ 6491d3

Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 Candidate_v1.7.0 Candidate_v1.7.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters StoppableMakroAction TremoloParser_IncreasedPrecision stable
Name Size Rev Age Author Last Change
../
water.pdb 561 bytes ​ 51662a   10 years FrederikHeber Added Example with partial charge fitting to water molecule.
session.py 786 bytes ​ 51662a   10 years FrederikHeber Added Example with partial charge fitting to water molecule.
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