| Revision: | 403 |
| Committed: | Wed Mar 26 15:37:05 2003 UTC (21 years, 3 months ago) by chuckv |
| File size: | 284 byte(s) |
| Log Message: | Fixes for Parallel thermalization |
| # | Content |
|---|---|
| 1 | #include "lj.mdl" |
| 2 | |
| 3 | nComponents = 1; |
| 4 | component{ |
| 5 | type = "Ar"; |
| 6 | nMol = 108; |
| 7 | } |
| 8 | |
| 9 | initialConfig = "./init_argon.eor"; |
| 10 | |
| 11 | forceField = "LJ"; |
| 12 | targetTemp = 119.8; |
| 13 | density = 0.02143659; |
| 14 | |
| 15 | ensemble = "NVE"; |
| 16 | dt = 1.0; |
| 17 | runTime = 1000.0; |
| 18 | |
| 19 | sampleTime = 10.0; |
| 20 | thermalTime = 100.0; |
| 21 | |
| 22 | tempSet = "true"; |