| # | Line 11 | Line 11 | tauThermostat = 1e3; | |
|---|---|---|
| 11 | forceField = "LJ"; | |
| 12 | targetTemp = 135.1344; | |
| 13 | tauThermostat = 1e3; | |
| 14 | + | cutoffRadius = 9.0; |
| 15 | + | switchingRadius = 7.7; |
| 16 | + | switchingFunctionType = "fifth_order_polynomial"; |
| 17 | ||
| 18 | ensemble = "NVE"; | |
| 19 | dt = 1.0; | |
| 20 | < | runTime = 1e4; |
| 20 | > | runTime = 1e3; |
| 21 | ||
| 22 | sampleTime = 100; | |
| 23 | statusTime = 1; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |