Revision: | 397 |
Committed: | Tue Mar 25 01:06:10 2003 UTC (21 years, 5 months ago) by gezelter |
File size: | 302 byte(s) |
Log Message: | moved tests to samples |
# | 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 | |||
14 | rRF = 9.0; | ||
15 | dielectric = 80.0; | ||
16 | |||
17 | density = 0.0334; | ||
18 | |||
19 | targetTemp = 300; | ||
20 | |||
21 | dt = 2.0; | ||
22 | runTime = 250000; | ||
23 | |||
24 | sampleTime = 1000; | ||
25 | statusTime = 500; |