| # | Line 4 | Line 4 | molecule{ | |
|---|---|---|
| 4 | atom[0]{ | |
| 5 | type="linear"; | |
| 6 | position( 0.0, 0.0, 0.0 ); | |
| 7 | + | orientation( 0.0, 0.0, 1.0); |
| 8 | } | |
| 9 | } | |
| 10 | ||
| # | Line 20 | Line 21 | dt = 1.0; | |
| 21 | ||
| 22 | ensemble = "NVE"; | |
| 23 | dt = 1.0; | |
| 24 | < | runTime = 1e2; |
| 24 | > | runTime = 1e1; |
| 25 | ||
| 26 | sampleTime = 1; | |
| 27 | statusTime = 1; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |