# | Line 1 | Line 1 | |
---|---|---|
1 | #include "water.md" | |
2 | ||
3 | – | nComponents = 2; |
3 | component{ | |
4 | type = "SSD_E"; | |
5 | nMol = 500; | |
# | Line 14 | Line 13 | useReactionField = "false"; | |
13 | ||
14 | ensemble = NVT; | |
15 | forceField = "DUFF"; | |
16 | < | useReactionField = "false"; |
17 | < | dielectric = 80.0; |
16 | > | electrostaticSummationMethod = "none"; |
17 | > | electrostaticScreeningMethod = "undamped"; |
18 | > | dampingAlpha = 0.20; |
19 | cutoffRadius = 10.5; | |
20 | switchingRadius = 8.925; | |
21 |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |