| # | Line 37 | Line 37 | cutoffRadius = 9.0; | |
|---|---|---|
| 37 | cutoffMethod = "shifted_force"; | |
| 38 | dielectric = 80.0; | |
| 39 | cutoffRadius = 9.0; | |
| 40 | – | switchingRadius = 7.7; |
| 40 | outputFluctuatingCharges = true; | |
| 41 | ||
| 42 | targetTemp = 300; | |
| # | Line 46 | Line 45 | tauBarostat = 1e4; | |
| 45 | tauThermostat = 1e3; | |
| 46 | tauBarostat = 1e4; | |
| 47 | ||
| 48 | + | flucQ { |
| 49 | + | targetTemp = 1.0; |
| 50 | + | tauThermostat = 10.0; |
| 51 | + | } |
| 52 | + | |
| 53 | + | |
| 54 | dt = 1.0; | |
| 55 | runTime = 1e4; | |
| 56 | useInitialTime = "false"; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |