AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
Exclude_Hydrogens_annealWithBondGraph
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
PythonUI_with_named_parameters
StoppableMakroAction
TremoloParser_IncreasedPrecision
stable
| Rev | Line | |
|---|
| [2d1280] | 1 | REMARK created by molecuilder on Wed Jan 28 21:45:49 2015, time step 0
|
|---|
| 2 | ATOM 1 H01 0non 01 0.000 0.000 0.000 0.00 0.00 O 0
|
|---|
| 3 | ATOM 2 H01 0wat 01 0.759 0.000 0.504 0.00 0.00 H 0
|
|---|
| 4 | ATOM 3 H02 0non 01 0.759 0.000 -0.504 0.00 0.00 H 0
|
|---|
| 5 | CONECT 1 2 3
|
|---|
| 6 | CONECT 2 1 3
|
|---|
| 7 | CONECT 3 1 2
|
|---|
| 8 | END
|
|---|
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