Action_Thermostats
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
EmpiricalPotential_contain_HomologyGraph_documentation
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_oldresults
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
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Last change
on this file since 8f2f4e was c6aeb1, checked in by Frederik Heber <heber@…>, 14 years ago |
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Added regression test for Parser/Pdb for PDB files with CONECT entries.
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Property mode
set to
100644
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File size:
271 bytes
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| Rev | Line | |
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| [c6aeb1] | 1 | REMARK created by molecuilder on Wed Feb 16 09:36:08 2011, time step 0
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| 2 | ATOM 1 H01 0TIP 01 0 10.000 10.000 10.000 1.00 1.00 H 0
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| 3 | ATOM 2 H02 0TIP 01 0 10.740 10.000 10.000 1.00 1.00 H 0
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|---|
| 4 | CONECT 1 2
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| 5 | CONECT 2 1
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| 6 | END
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