Revision: | 2802 |
Committed: | Tue Jun 6 17:43:28 2006 UTC (18 years, 3 months ago) by gezelter |
File size: | 404 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 | component{ | ||
10 | type = "C"; | ||
11 | nMol =1; | ||
12 | } | ||
13 | |||
14 | |||
15 | initialConfig = "./gb2lj1.in"; | ||
16 | |||
17 | ensemble = NVT; | ||
18 | targetTemp = 1; | ||
19 | tauThermostat = 1000; | ||
20 | forceField = "DUFF"; | ||
21 | |||
22 | cutoffRadius = 20.0; | ||
23 | switchingRadius = 18.0; | ||
24 | dt = 1.0; | ||
25 | runTime = 1e5; | ||
26 | useInitialTime = "false"; | ||
27 | useInitialExtendedSystemState = "false"; | ||
28 | |||
29 | sampleTime = 100; | ||
30 | statusTime = 100; |