| # | Line 1 | Line 1 | |
|---|---|---|
| 1 | #include "water.md" | |
| 2 | ||
| 3 | < | nComponents = 1; |
| 3 | > | |
| 4 | component{ | |
| 5 | type = "SSD"; | |
| 6 | nMol = 256; | |
| # | Line 23 | Line 23 | switchingRadius = 7.8; | |
| 23 | cutoffRadius = 9.0; | |
| 24 | switchingRadius = 7.8; | |
| 25 | ||
| 26 | < | useReactionField = "false"; |
| 26 | > | electrostaticSummationMethod = "none"; |
| 27 | ||
| 28 | dielectric = 80.0; | |
| 29 | ||
| 30 | – | density = 0.0334; |
| 30 | ||
| 31 | + | |
| 32 | targetTemp = 300; | |
| 33 | targetPressure = 1.0; | |
| 34 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |