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root/group/trunk/OOPSE/samples/alkane/butane.bass
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Comparing trunk/OOPSE/samples/alkane/butane.bass (file contents):
Revision 437 by gezelter, Tue Mar 25 01:06:10 2003 UTC vs.
Revision 438 by chuckv, Mon Mar 31 21:50:59 2003 UTC

# Line 13 | Line 13 | dt = 2.0;
13   targetTemp = 300.0;
14   ensemble = NVE;
15  
16 < dt = 2.0;
17 < runTime = 10000.0;
16 > dt = 1.0;
17 > runTime = 1000.0;
18   //tempSet = "true";
19   //thermalTime = 1000.0;
20 < sampleTime = 100.0;
20 > sampleTime = 10.0;
21   box = 20.0;
22  

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