Revision: | 2489 |
Committed: | Tue Dec 6 16:49:59 2005 UTC (18 years, 9 months ago) by tim |
File size: | 308 byte(s) |
Log Message: | remove deprecated keywords from samples |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 1490 | #include "water.md" |
2 | |||
3 | tim | 2489 | |
4 | gezelter | 1490 | component{ |
5 | type = "SSD"; | ||
6 | nMol = 256; | ||
7 | } | ||
8 | |||
9 | initialConfig = "./ssdEM.in"; | ||
10 | |||
11 | minimizer = CG; | ||
12 | minimizerMaxIter = 500; | ||
13 | minimizerWriteFrq = 1; | ||
14 | minimizerStepSize = 0.01; | ||
15 | forceField = "DUFF"; | ||
16 | chrisfen | 2311 | electrostaticSummationMethod = "none"; |
17 | gezelter | 1490 | dielectric = 80.0; |
18 | cutoffRadius = 9.0; | ||
19 | switchingRadius = 7.0; |