| Revision: | 397 |
| Committed: | Tue Mar 25 01:06:10 2003 UTC (21 years, 3 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; |