| Revision: | 2926 |
| Committed: | Fri Jul 7 19:44:54 2006 UTC (17 years, 11 months ago) by gezelter |
| File size: | 377 byte(s) |
| Log Message: | removed icc from C++ search lines, did some formatting work on GB module, mucked around with a GB example |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 2384 | #include "gb.md" |
| 2 | #include "lj.md" | ||
| 3 | |||
| 4 | tim | 2489 | |
| 5 | gezelter | 2384 | component{ |
| 6 | gezelter | 2802 | type = "GBlinear"; |
| 7 | gezelter | 2384 | nMol = 2; |
| 8 | } | ||
| 9 | |||
| 10 | |||
| 11 | initialConfig = "./2gb.in"; | ||
| 12 | |||
| 13 | ensemble = NVT; | ||
| 14 | gezelter | 2926 | targetTemp = 1; |
| 15 | gezelter | 2802 | tauThermostat = 30; |
| 16 | gezelter | 2384 | forceField = "DUFF"; |
| 17 | |||
| 18 | cutoffRadius = 20.0; | ||
| 19 | switchingRadius = 18.0; | ||
| 20 | dt = 1.0; | ||
| 21 | gezelter | 2802 | runTime = 1e5; |
| 22 | gezelter | 2384 | useInitialTime = "false"; |
| 23 | useInitialExtendedSystemState = "false"; | ||
| 24 | |||
| 25 | thermalTime = 10; | ||
| 26 | sampleTime = 100; | ||
| 27 | statusTime = 1; |