| # | Line 18 | Line 18 | forceFieldFileName = "Lipid.frc"; | |
|---|---|---|
| 18 | ensemble = NVT; | |
| 19 | forceField = "DUFF"; | |
| 20 | forceFieldFileName = "Lipid.frc"; | |
| 21 | < | useReactionField = "false"; |
| 21 | > | electrostaticSummationMethod = "none"; |
| 22 | dielectric = 80.0; | |
| 23 | cutoffRadius = 9.0; | |
| 24 | switchingRadius = 7.8; | |
| 25 | ||
| 26 | density = 0.0334; | |
| 27 | ||
| 28 | < | targetTemp = 0.001; |
| 28 | > | targetTemp = 100.0; |
| 29 | targetPressure = 1.0; | |
| 30 | ||
| 31 | < | tauThermostat = 1e4; |
| 31 | > | tauThermostat = 1e3; |
| 32 | tauBarostat = 1e4; | |
| 33 | ||
| 34 | dt = 1.0; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |