Revision: | 482 |
Committed: | Tue Apr 8 22:38:43 2003 UTC (21 years, 5 months ago) by chuckv |
File size: | 318 byte(s) |
Log Message: | It works (kinda)... |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 397 | #include "water.mdl" |
2 | |||
3 | nComponents = 1; | ||
4 | component{ | ||
5 | type = "SSD_water"; | ||
6 | nMol = 256; | ||
7 | } | ||
8 | |||
9 | initialConfig = "./init_ssd.eor"; | ||
10 | |||
11 | ensemble = NVE; | ||
12 | forceField = "TraPPE_Ex"; | ||
13 | chuckv | 482 | useReactionField = "false"; |
14 | gezelter | 397 | dielectric = 80.0; |
15 | |||
16 | density = 0.0334; | ||
17 | |||
18 | targetTemp = 300; | ||
19 | |||
20 | dt = 2.0; | ||
21 | runTime = 250000; | ||
22 | |||
23 | sampleTime = 1000; | ||
24 | statusTime = 500; |