source: tests/regression/Parser/Tremolo/post/water-neighbors.data@ 33af20

Action_Thermostats Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Last change on this file since 33af20 was ca331c, checked in by Frederik Heber <heber@…>, 13 years ago

Added Undo/Redo capability to SetTremoloAtomdataAction.
  • Property mode set to 100644
File size: 245 bytes
Line 
1# ATOMDATA Id name resName resSeq x=3 charge type neighbors=2
2 1 OH2 TIP3 1 1.583 1.785 1.480 -0.8340 O 2 3
3 2 H1 TIP3 1 1.186 1.643 2.213 0.4170 H 1 0
4 3 H2 TIP3 1 2.642 1.896 1.730 0.4170 H 1 0
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