Revision: | 2384 |
Committed: | Tue Oct 18 21:13:33 2005 UTC (18 years, 10 months ago) by gezelter |
File size: | 447 byte(s) |
Log Message: | added a few GB test cases |
# | Content |
---|---|
1 | #include "gb.md" |
2 | #include "lj.md" |
3 | |
4 | nComponents = 2; |
5 | component{ |
6 | type = "C"; |
7 | nMol =1; |
8 | } |
9 | component{ |
10 | type = "linear"; |
11 | nMol = 1; |
12 | } |
13 | |
14 | |
15 | initialConfig = "./gbRotRoundZ.in"; |
16 | |
17 | ensemble = NVT; |
18 | targetTemp = 0.001; |
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 | //thermalTime = 10; |
30 | sampleTime = 100; |
31 | statusTime = 100; |