| # | Line 14 | Line 14 | initialConfig = "./gbRotRoundY.in"; | |
|---|---|---|
| 14 | ||
| 15 | initialConfig = "./gbRotRoundY.in"; | |
| 16 | ||
| 17 | < | ensemble = NVE; |
| 17 | > | ensemble = NVT; |
| 18 | > | targetTemp = 1; |
| 19 | > | tauThermostat = 1000; |
| 20 | forceField = "DUFF"; | |
| 21 | ||
| 22 | cutoffRadius = 20.0; | |
| 23 | switchingRadius = 18.0; | |
| 24 | < | dt = 1.0; |
| 25 | < | runTime = 1e5; |
| 24 | > | dt = 1; |
| 25 | > | runTime = 100000; |
| 26 | useInitialTime = "false"; | |
| 27 | useInitialExtendedSystemState = "false"; | |
| 28 | ||
| 29 | thermalTime = 10; | |
| 30 | sampleTime = 100; | |
| 31 | < | statusTime = 100; |
| 31 | > | statusTime = 1; |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |