| Revision: | 397 |
| Committed: | Tue Mar 25 01:06:10 2003 UTC (21 years, 3 months ago) by gezelter |
| File size: | 394 byte(s) |
| Log Message: | moved tests to samples |
| # | Content |
|---|---|
| 1 | #include "water.mdl" |
| 2 | #include "lipid.mdl" |
| 3 | |
| 4 | nComponents = 2; |
| 5 | component{ |
| 6 | type = "simpleLipid_16"; |
| 7 | nMol = 25; |
| 8 | } |
| 9 | |
| 10 | component{ |
| 11 | type = "SSD_water"; |
| 12 | nMol = 1386; |
| 13 | } |
| 14 | |
| 15 | forceField = "TraPPE_Ex"; |
| 16 | ensemble = NVE; |
| 17 | |
| 18 | initialConfig = "init_5x5.eor"; |
| 19 | |
| 20 | boxX = 34.503000; |
| 21 | boxY = 39.432000; |
| 22 | boxZ = 39.432000; |
| 23 | |
| 24 | targetTemp = 300; |
| 25 | |
| 26 | dt = 3.0; |
| 27 | runTime = 1000.0; |
| 28 | sampleTime = 100.0; |
| 29 | |
| 30 | rRF = 9.0; |
| 31 | dielectric = 80.0; |