Revision: | 1490 |
Committed: | Fri Sep 24 04:16:43 2004 UTC (19 years, 11 months ago) by gezelter |
File size: | 361 byte(s) |
Log Message: | Import of OOPSE v. 2.0 |
# | Content |
---|---|
1 | #include "water.md" |
2 | #include "lipid.md" |
3 | |
4 | nComponents = 2; |
5 | component{ |
6 | type = "simpleLipid_16"; |
7 | nMol = 25; |
8 | } |
9 | |
10 | component{ |
11 | type = "SSD_water"; |
12 | nMol = 1386; |
13 | } |
14 | |
15 | forceField = "DUFF"; |
16 | ensemble = NVE; |
17 | |
18 | //initialConfig = "5x5.in"; |
19 | |
20 | targetTemp = 300; |
21 | |
22 | dt = 2.0; |
23 | runTime = 1000.0; |
24 | sampleTime = 100.0; |
25 | |
26 | cutoffRadius = 9.0; |
27 | switchingRadius = 7.8; |
28 | |
29 | dielectric = 80.0; |