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root/group/trunk/OOPSE/samples/water/ssd.bass
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Comparing trunk/OOPSE/samples/water/ssd.bass (file contents):
Revision 994 by gezelter, Tue Jan 27 20:34:37 2004 UTC vs.
Revision 1098 by gezelter, Mon Apr 12 20:32:52 2004 UTC

# Line 8 | Line 8 | ensemble = NVE;
8  
9   initialConfig = "./init_ssd.eor";
10  
11 < ensemble = NVE;
11 > ensemble = NPTi;
12   forceField = "DUFF";
13   useReactionField = "false";
14   dielectric = 80.0;
# Line 24 | Line 24 | runTime = 1e4;
24   tauBarostat = 1e4;
25  
26   dt = 2.0;
27 < runTime = 1e4;
27 > runTime = 1e3;
28  
29   sampleTime = 200;
30   statusTime = 2;

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