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root/group/trunk/OOPSE-4/samples/gbljtest/gbRotRoundX.md
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Comparing trunk/OOPSE-4/samples/gbljtest/gbRotRoundX.md (file contents):
Revision 2802 by gezelter, Tue Jun 6 17:43:28 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 12 | Line 14 | initialConfig = "./gbRotRoundX.in";
14   }
15  
16  
15 – initialConfig = "./gbRotRoundX.in";
17  
18   ensemble = NVE;
19   forceField = "DUFF";
# Line 27 | Line 28 | statusTime = 100;
28   thermalTime = 10;
29   sampleTime = 100;
30   statusTime = 100;
31 +  </MetaData>
32 +  <Snapshot>
33 +    <FrameData>
34 +        Time: 0
35 +        Hmat: {{ 59.7166, 0, 0 }, { 0, 59.7166, 0 }, { 0, 0, 59.7166 }}
36 +    </FrameData>
37 +    <StuntDoubles>
38 +         0      pv                  0                  0                  0   0.000000e+00  0.000000e+00  0.000000e+00
39 +         1    pvqj                  7                  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
40 +    </StuntDoubles>
41 +  </Snapshot>
42 + </OOPSE>

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