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
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
|
Last change
on this file since d24ef58 was e6e4a0, checked in by Frederik Heber <heber@…>, 12 years ago |
|
FIX: TremoloParser did not treat key F properly in saveLine() and readAtomDataLine().
- did not write/load all three components.
- TESTFIX: ParserTremoloUnitTest due to key F changes.
- TESTFIX: regression tests Atoms/Add and Parser/Tremolo and Tremolo-Potentials
neded their .data files adapted (F was so far stored with just one component
and not three).
|
-
Property mode
set to
100644
|
|
File size:
224 bytes
|
| Line | |
|---|
| 1 | # ATOMDATA Charge F GroupMeasureTypeNo GrpTypeNo Id chainID charge extType imprData name neighbors occupancy resName resSeq segID stress tempFactor torsion type u x
|
|---|
| 2 | 0 0 0 0 0 0 1 0 0 - - - 0 - 1 0 0 0 - H 0 0 0 10 10 10
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
