Revision: | 2802 |
Committed: | Tue Jun 6 17:43:28 2006 UTC (18 years, 3 months ago) by gezelter |
File size: | 389 byte(s) |
Log Message: | testing GB, removing CM drift in Langevin Dynamics, fixing a memory leak, adding a visitor |
# | Content |
---|---|
1 | #include "gb.md" |
2 | #include "lj.md" |
3 | |
4 | |
5 | component{ |
6 | type = "C"; |
7 | nMol =1; |
8 | } |
9 | component{ |
10 | type = "GBlinear"; |
11 | nMol = 1; |
12 | } |
13 | |
14 | |
15 | initialConfig = "./gbRotRoundX.in"; |
16 | |
17 | ensemble = NVE; |
18 | forceField = "DUFF"; |
19 | |
20 | cutoffRadius = 20.0; |
21 | switchingRadius = 18.0; |
22 | dt = 1.0; |
23 | runTime = 1e5; |
24 | useInitialTime = "false"; |
25 | useInitialExtendedSystemState = "false"; |
26 | |
27 | thermalTime = 10; |
28 | sampleTime = 100; |
29 | statusTime = 100; |