| Revision: | 1420 |
| Committed: | Tue Jul 27 18:25:02 2004 UTC (19 years, 11 months ago) by gezelter |
| File size: | 337 byte(s) |
| Log Message: | BASS eradication project (part 4) |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 1420 | #include "lj.md" |
| 2 | |||
| 3 | nComponents = 1; | ||
| 4 | component{ | ||
| 5 | type = "Ar"; | ||
| 6 | nMol = 864; | ||
| 7 | } | ||
| 8 | |||
| 9 | initialConfig = "./ar864.in"; | ||
| 10 | |||
| 11 | forceField = "LJ"; | ||
| 12 | targetTemp = 135.1344; | ||
| 13 | tauThermostat = 1e3; | ||
| 14 | cutoffRadius = 15.0; | ||
| 15 | switchingRadius = 15.0; | ||
| 16 | |||
| 17 | ensemble = "NVT"; | ||
| 18 | dt = 1.0; | ||
| 19 | runTime = 1e5; | ||
| 20 | |||
| 21 | sampleTime = 100; | ||
| 22 | statusTime = 1; | ||
| 23 | |||
| 24 | thermalTime = 1000.0; | ||
| 25 | tempSet = "true"; |