Revision: | 2802 |
Committed: | Tue Jun 6 17:43:28 2006 UTC (18 years, 3 months ago) by gezelter |
File size: | 426 byte(s) |
Log Message: | testing GB, removing CM drift in Langevin Dynamics, fixing a memory leak, adding a visitor |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 2369 | #include "gb.md" |
2 | #include "lj.md" | ||
3 | |||
4 | tim | 2489 | |
5 | gezelter | 2369 | component{ |
6 | type = "C"; | ||
7 | nMol =1; | ||
8 | } | ||
9 | component{ | ||
10 | gezelter | 2802 | type = "GBlinear"; |
11 | gezelter | 2369 | nMol = 1; |
12 | } | ||
13 | |||
14 | |||
15 | initialConfig = "./gbRotRoundY.in"; | ||
16 | |||
17 | gezelter | 2802 | ensemble = NVE; |
18 | gezelter | 2384 | targetTemp = 1; |
19 | tauThermostat = 1000; | ||
20 | gezelter | 2369 | forceField = "DUFF"; |
21 | |||
22 | cutoffRadius = 20.0; | ||
23 | switchingRadius = 18.0; | ||
24 | gezelter | 2384 | dt = 1; |
25 | runTime = 100000; | ||
26 | gezelter | 2369 | useInitialTime = "false"; |
27 | useInitialExtendedSystemState = "false"; | ||
28 | |||
29 | thermalTime = 10; | ||
30 | sampleTime = 100; | ||
31 | gezelter | 2384 | statusTime = 1; |