Revision: | 2311 |
Committed: | Tue Sep 20 15:34:15 2005 UTC (19 years ago) by chrisfen |
File size: | 324 byte(s) |
Log Message: | fixed up some sample md files |
# | Content |
---|---|
1 | #include "water.md" |
2 | |
3 | nComponents = 1; |
4 | 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 | electrostaticSummationMethod = "none"; |
17 | dielectric = 80.0; |
18 | cutoffRadius = 9.0; |
19 | switchingRadius = 7.0; |