| # | Line 14 | Line 14 | ensemble = NVE; | |
|---|---|---|
| 14 | ||
| 15 | initialConfig = "./gbRotRoundZ.in"; | |
| 16 | ||
| 17 | < | ensemble = NVE; |
| 17 | > | ensemble = NVT; |
| 18 | > | targetTemp = 0.001; |
| 19 | > | tauThermostat = 1000; |
| 20 | forceField = "DUFF"; | |
| 21 | ||
| 22 | cutoffRadius = 20.0; | |
| # | Line 24 | Line 26 | thermalTime = 10; | |
| 26 | useInitialTime = "false"; | |
| 27 | useInitialExtendedSystemState = "false"; | |
| 28 | ||
| 29 | < | thermalTime = 10; |
| 29 | > | //thermalTime = 10; |
| 30 | sampleTime = 100; | |
| 31 | statusTime = 100; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |