Revision: | 2471 |
Committed: | Fri Dec 2 17:01:55 2005 UTC (18 years, 8 months ago) by gezelter |
File size: | 355 byte(s) |
Log Message: | Added Gay-Berne / Argon test case for the cutoff policies |
# | Content |
---|---|
1 | #include "gb.md" |
2 | #include "lj.md" |
3 | |
4 | nComponents = 2; |
5 | component{ |
6 | type = "linear"; |
7 | nMol = 1; |
8 | } |
9 | component{ |
10 | type = "Ar"; |
11 | nMol =863; |
12 | } |
13 | |
14 | |
15 | initialConfig = "./gb-ar.in"; |
16 | |
17 | ensemble = NVE; |
18 | forceField = "DUFF"; |
19 | cutoffPolicy = "mix"; |
20 | |
21 | dt = 1; |
22 | runTime = 1e4; |
23 | useInitialTime = "false"; |
24 | useInitialExtendedSystemState = "false"; |
25 | |
26 | sampleTime = 100; |
27 | statusTime = 1; |