| # | Line 1 | Line 1 | |
|---|---|---|
| 1 | #include "splitDipole.md" | |
| 2 | #include "water.md" | |
| 3 | ||
| 4 | < | nComponents = 2; |
| 4 | > | |
| 5 | component{ | |
| 6 | type = "HEAD"; | |
| 7 | nMol = 1; | |
| # | Line 17 | Line 17 | forceFieldFileName = "Lipid.frc"; | |
| 17 | ensemble = NVT; | |
| 18 | forceField = "DUFF"; | |
| 19 | forceFieldFileName = "Lipid.frc"; | |
| 20 | < | useReactionField = "false"; |
| 20 | > | electrostaticSummationMethod = "none"; |
| 21 | dielectric = 80.0; | |
| 22 | cutoffRadius = 9.0; | |
| 23 | switchingRadius = 7.8; | |
| 24 | ||
| 25 | – | density = 0.0334; |
| 25 | ||
| 26 | + | |
| 27 | targetTemp = 300; | |
| 28 | targetPressure = 1.0; | |
| 29 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |