Revision: | 2480 |
Committed: | Fri Dec 2 22:37:05 2005 UTC (18 years, 9 months ago) by gezelter |
File size: | 338 byte(s) |
Log Message: | removing deprecated nAtoms and nComponents lines |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 2471 | #include "gb.md" |
2 | #include "lj.md" | ||
3 | |||
4 | component{ | ||
5 | type = "linear"; | ||
6 | nMol = 1; | ||
7 | } | ||
8 | component{ | ||
9 | type = "Ar"; | ||
10 | nMol =863; | ||
11 | } | ||
12 | |||
13 | |||
14 | initialConfig = "./gb-ar.in"; | ||
15 | |||
16 | ensemble = NVE; | ||
17 | forceField = "DUFF"; | ||
18 | cutoffPolicy = "mix"; | ||
19 | |||
20 | dt = 1; | ||
21 | runTime = 1e4; | ||
22 | useInitialTime = "false"; | ||
23 | useInitialExtendedSystemState = "false"; | ||
24 | |||
25 | sampleTime = 100; | ||
26 | statusTime = 1; |