# | Line 2 | Line 2 | component{ | |
---|---|---|
2 | ||
3 | nComponents = 1; | |
4 | component{ | |
5 | < | type = "SSD_water"; |
5 | > | type = "SSD"; |
6 | nMol = 256; | |
7 | } | |
8 | ||
9 | initialConfig = "./init_ssd.eor"; | |
10 | ||
11 | < | ensemble = NVE; |
11 | > | ensemble = NPTi; |
12 | forceField = "DUFF"; | |
13 | useReactionField = "false"; | |
14 | dielectric = 80.0; | |
# | Line 26 | Line 26 | sampleTime = 2; | |
26 | dt = 2.0; | |
27 | runTime = 1e3; | |
28 | ||
29 | < | sampleTime = 2; |
29 | > | sampleTime = 200; |
30 | statusTime = 2; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |