# | Line 8 | Line 8 | ensemble = NPTi; | |
---|---|---|
8 | ||
9 | initialConfig = "./ssd.in"; | |
10 | ||
11 | < | ensemble = NPTi; |
12 | < | forceField = "DUFF"; |
11 | > | ensemble = NVE; |
12 | > | forceField = "WATER"; |
13 | useReactionField = "false"; | |
14 | dielectric = 80.0; | |
15 | cutoffRadius = 9.0; | |
# | Line 26 | Line 26 | sampleTime = 200; | |
26 | dt = 2.0; | |
27 | runTime = 1e3; | |
28 | ||
29 | < | sampleTime = 200; |
29 | > | sampleTime = 100; |
30 | statusTime = 2; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |