Revision: | 2802 |
Committed: | Tue Jun 6 17:43:28 2006 UTC (18 years, 3 months ago) by gezelter |
File size: | 378 byte(s) |
Log Message: | testing GB, removing CM drift in Langevin Dynamics, fixing a memory leak, adding a visitor |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 2384 | #include "gb.md" |
2 | #include "lj.md" | ||
3 | |||
4 | tim | 2489 | |
5 | gezelter | 2384 | component{ |
6 | gezelter | 2802 | type = "GBlinear"; |
7 | gezelter | 2384 | nMol = 2; |
8 | } | ||
9 | |||
10 | |||
11 | initialConfig = "./2gb.in"; | ||
12 | |||
13 | ensemble = NVT; | ||
14 | gezelter | 2802 | targetTemp = 10; |
15 | tauThermostat = 30; | ||
16 | gezelter | 2384 | forceField = "DUFF"; |
17 | |||
18 | cutoffRadius = 20.0; | ||
19 | switchingRadius = 18.0; | ||
20 | dt = 1.0; | ||
21 | gezelter | 2802 | runTime = 1e5; |
22 | gezelter | 2384 | useInitialTime = "false"; |
23 | useInitialExtendedSystemState = "false"; | ||
24 | |||
25 | thermalTime = 10; | ||
26 | sampleTime = 100; | ||
27 | statusTime = 1; |