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root/group/trunk/OOPSE-4/samples/zcons/zconsMoving.md
Revision: 1490
Committed: Fri Sep 24 04:16:43 2004 UTC (19 years, 9 months ago) by gezelter
File size: 529 byte(s)
Log Message:
Import of OOPSE v. 2.0

File Contents

# User Rev Content
1 gezelter 1490 #include "water.md"
2    
3     nComponents = 1;
4     component{
5     type = "SSD";
6     nMol = 256;
7     }
8    
9     initialConfig = "./zconsMoving.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     zPos = 7.80;
22     }
23    
24    
25     cutoffRadius = 9.0;
26     switchingRadius = 7.8;
27    
28     useReactionField = "false";
29    
30     dielectric = 80.0;
31    
32     density = 0.0334;
33    
34     targetTemp = 300;
35     targetPressure = 1.0;
36    
37     dt = 1;
38     tauBarostat = 1E5;
39     tauThermostat = 1E3;
40    
41     runTime = 1e4;
42     tempSet = false;
43     sampleTime = 100;