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root/group/trunk/OOPSE-4/samples/zcons/zconsFixed.md
Revision: 2489
Committed: Tue Dec 6 16:49:59 2005 UTC (18 years, 6 months ago) by tim
File size: 490 byte(s)
Log Message:
remove deprecated keywords from samples

File Contents

# 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 = "./zconsFixed.in";
10    
11     ensemble = NVE;
12     forceField = "DUFF";
13    
14     zconsTime = 1;
15     zconsTol = 0.01;
16    
17     nZconstraints = 1;
18     zConstraint[0]{
19     molIndex =0;
20     kRatio = 0.5;
21     }
22    
23     cutoffRadius = 9.0;
24     switchingRadius = 7.8;
25    
26 chrisfen 2311 electrostaticSummationMethod = "none";
27 gezelter 1490
28     dielectric = 80.0;
29    
30    
31 tim 2489
32 gezelter 1490 targetTemp = 300;
33     targetPressure = 1.0;
34    
35     dt = 1;
36     tauBarostat = 1E5;
37     tauThermostat = 1E3;
38    
39     runTime = 1e4;
40     tempSet = false;
41     sampleTime = 100;