| Revision: | 2384 |
| Committed: | Tue Oct 18 21:13:33 2005 UTC (18 years, 8 months ago) by gezelter |
| File size: | 393 byte(s) |
| Log Message: | added a few GB test cases |
| # | Content |
|---|---|
| 1 | #include "gb.md" |
| 2 | #include "lj.md" |
| 3 | |
| 4 | nComponents = 1; |
| 5 | component{ |
| 6 | type = "linear"; |
| 7 | nMol = 2; |
| 8 | } |
| 9 | |
| 10 | |
| 11 | initialConfig = "./2gb.in"; |
| 12 | |
| 13 | ensemble = NVT; |
| 14 | targetTemp = 1; |
| 15 | tauThermostat = 1000; |
| 16 | forceField = "DUFF"; |
| 17 | |
| 18 | cutoffRadius = 20.0; |
| 19 | switchingRadius = 18.0; |
| 20 | dt = 1.0; |
| 21 | runTime = 6e4; |
| 22 | useInitialTime = "false"; |
| 23 | useInitialExtendedSystemState = "false"; |
| 24 | |
| 25 | thermalTime = 10; |
| 26 | sampleTime = 100; |
| 27 | statusTime = 1; |