| Revision: | 983 |
| Committed: | Tue Jun 6 17:43:28 2006 UTC (19 years, 1 month ago) by gezelter |
| Original Path: | trunk/samples/gbljtest/gbRotRoundY.md |
| File size: | 426 byte(s) |
| Log Message: | testing GB, removing CM drift in Langevin Dynamics, fixing a memory leak, adding a visitor |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 670 | #include "gb.md" |
| 2 | #include "lj.md" | ||
| 3 | |||
| 4 | tim | 790 | |
| 5 | gezelter | 670 | component{ |
| 6 | type = "C"; | ||
| 7 | nMol =1; | ||
| 8 | } | ||
| 9 | component{ | ||
| 10 | gezelter | 983 | type = "GBlinear"; |
| 11 | gezelter | 670 | nMol = 1; |
| 12 | } | ||
| 13 | |||
| 14 | |||
| 15 | initialConfig = "./gbRotRoundY.in"; | ||
| 16 | |||
| 17 | gezelter | 983 | ensemble = NVE; |
| 18 | gezelter | 685 | targetTemp = 1; |
| 19 | tauThermostat = 1000; | ||
| 20 | gezelter | 670 | forceField = "DUFF"; |
| 21 | |||
| 22 | cutoffRadius = 20.0; | ||
| 23 | switchingRadius = 18.0; | ||
| 24 | gezelter | 685 | dt = 1; |
| 25 | runTime = 100000; | ||
| 26 | gezelter | 670 | useInitialTime = "false"; |
| 27 | useInitialExtendedSystemState = "false"; | ||
| 28 | |||
| 29 | thermalTime = 10; | ||
| 30 | sampleTime = 100; | ||
| 31 | gezelter | 685 | statusTime = 1; |