| Revision: | 2802 |
| Committed: | Tue Jun 6 17:43:28 2006 UTC (18 years ago) by gezelter |
| File size: | 404 byte(s) |
| Log Message: | testing GB, removing CM drift in Langevin Dynamics, fixing a memory leak, adding a visitor |
| # | Content |
|---|---|
| 1 | #include "gb.md" |
| 2 | #include "lj.md" |
| 3 | |
| 4 | |
| 5 | component{ |
| 6 | type = "GBlinear"; |
| 7 | nMol = 2; |
| 8 | } |
| 9 | component{ |
| 10 | type = "C"; |
| 11 | nMol =1; |
| 12 | } |
| 13 | |
| 14 | |
| 15 | initialConfig = "./gb2lj1.in"; |
| 16 | |
| 17 | ensemble = NVT; |
| 18 | targetTemp = 1; |
| 19 | tauThermostat = 1000; |
| 20 | forceField = "DUFF"; |
| 21 | |
| 22 | cutoffRadius = 20.0; |
| 23 | switchingRadius = 18.0; |
| 24 | dt = 1.0; |
| 25 | runTime = 1e5; |
| 26 | useInitialTime = "false"; |
| 27 | useInitialExtendedSystemState = "false"; |
| 28 | |
| 29 | sampleTime = 100; |
| 30 | statusTime = 100; |