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root/group/trunk/OOPSE-4/samples/gbljtest/2gb.md
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Comparing trunk/OOPSE-4/samples/gbljtest/2gb.md (file contents):
Revision 2989 by gezelter, Fri Jul 7 19:44:54 2006 UTC vs.
Revision 2990 by chrisfen, Thu Aug 31 20:12:12 2006 UTC

# Line 1 | Line 1
1 + <OOPSE version=4>
2 +  <MetaData>
3   #include "gb.md"
4   #include "lj.md"
5  
# Line 8 | Line 10 | initialConfig = "./2gb.in";
10   }
11  
12  
11 – initialConfig = "./2gb.in";
13  
14   ensemble = NVT;
15   targetTemp = 1;
# Line 25 | Line 26 | statusTime = 1;
26   thermalTime = 10;
27   sampleTime = 100;
28   statusTime = 1;
29 +  </MetaData>
30 +  <Snapshot>
31 +    <FrameData>
32 +        Time: 0
33 +        Hmat: {{ 59.7166, 0, 0 }, { 0, 59.7166, 0 }, { 0, 0, 59.7166 }}
34 +    </FrameData>
35 +    <StuntDoubles>
36 +         0    pvqj                 -5                  0                 -3  0.000000e+00  0.000000e+00  0.000000e+00  5.000000e-01  5.000000e-01  5.000000e-01  5.000000e-01  0.000000e+00  0.000000e+00  0.000000e+00
37 +         1    pvqj                  5                  0                  1  0.000000e+00  0.000000e+00  0.000000e+00  7.071070e-01  7.071070e-01  0.000000e+00  0.000000e+00  0.000000e+00  0.000000e+00  0.000000e+00
38 +    </StuntDoubles>
39 +  </Snapshot>
40 + </OOPSE>

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