| Revision: | 1465 |
| Committed: | Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv |
| File size: | 424 byte(s) |
| Log Message: | Creating busticated version of OpenMD |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 1390 | <OpenMD version=1> |
| 2 | gezelter | 1066 | <MetaData> |
| 3 | #include "lj.md" | ||
| 4 | |||
| 5 | component{ | ||
| 6 | type = "Ar"; | ||
| 7 | nMol = 1; | ||
| 8 | } | ||
| 9 | component{ | ||
| 10 | type = "Kr"; | ||
| 11 | nMol = 1; | ||
| 12 | } | ||
| 13 | component{ | ||
| 14 | type = "He"; | ||
| 15 | nMol = 1; | ||
| 16 | } | ||
| 17 | |||
| 18 | |||
| 19 | forceField = "LJ"; | ||
| 20 | targetTemp = 135.1344; | ||
| 21 | tauThermostat = 1e3; | ||
| 22 | cutoffRadius = 15.0; | ||
| 23 | switchingRadius = 15.0; | ||
| 24 | |||
| 25 | ensemble = "NVT"; | ||
| 26 | dt = 1.0; | ||
| 27 | runTime = 1e5; | ||
| 28 | |||
| 29 | sampleTime = 100; | ||
| 30 | statusTime = 1; | ||
| 31 | |||
| 32 | thermalTime = 1000.0; | ||
| 33 | tempSet = "true"; | ||
| 34 | </MetaData> | ||
| 35 | gezelter | 1390 | </OpenMD> |