| # | Line 3 | Line 3 | component{ | |
|---|---|---|
| 3 | ||
| 4 | ||
| 5 | component{ | |
| 6 | < | type = "linear"; |
| 6 | > | type = "GBlinear"; |
| 7 | nMol = 2; | |
| 8 | } | |
| 9 | ||
| # | Line 11 | Line 11 | targetTemp = 1; | |
| 11 | initialConfig = "./2gb.in"; | |
| 12 | ||
| 13 | ensemble = NVT; | |
| 14 | < | targetTemp = 1; |
| 15 | < | tauThermostat = 1000; |
| 14 | > | targetTemp = 10; |
| 15 | > | tauThermostat = 30; |
| 16 | forceField = "DUFF"; | |
| 17 | ||
| 18 | cutoffRadius = 20.0; | |
| 19 | switchingRadius = 18.0; | |
| 20 | dt = 1.0; | |
| 21 | < | runTime = 6e4; |
| 21 | > | runTime = 1e5; |
| 22 | useInitialTime = "false"; | |
| 23 | useInitialExtendedSystemState = "false"; | |
| 24 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |