| Revision: | 2471 |
| Committed: | Fri Dec 2 17:01:55 2005 UTC (18 years, 7 months ago) by gezelter |
| File size: | 355 byte(s) |
| Log Message: | Added Gay-Berne / Argon test case for the cutoff policies |
| # | Content |
|---|---|
| 1 | #include "gb.md" |
| 2 | #include "lj.md" |
| 3 | |
| 4 | nComponents = 2; |
| 5 | component{ |
| 6 | type = "linear"; |
| 7 | nMol = 1; |
| 8 | } |
| 9 | component{ |
| 10 | type = "Ar"; |
| 11 | nMol =863; |
| 12 | } |
| 13 | |
| 14 | |
| 15 | initialConfig = "./gb-ar.in"; |
| 16 | |
| 17 | ensemble = NVE; |
| 18 | forceField = "DUFF"; |
| 19 | cutoffPolicy = "mix"; |
| 20 | |
| 21 | dt = 1; |
| 22 | runTime = 1e4; |
| 23 | useInitialTime = "false"; |
| 24 | useInitialExtendedSystemState = "false"; |
| 25 | |
| 26 | sampleTime = 100; |
| 27 | statusTime = 1; |