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root/group/trunk/OOPSE-4/src/types/OplsTorsionType.hpp
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Comparing trunk/OOPSE-4/src/types/OplsTorsionType.hpp (file contents):
Revision 3445 by gezelter, Wed Jun 11 19:03:39 2008 UTC vs.
Revision 3446 by cli2, Wed Sep 10 19:51:45 2008 UTC

# Line 87 | Line 87 | namespace oopse {
87        RealType c1 = 0.5 * (v1 - 3.0 * v3);
88        RealType c2 = -v2;
89        RealType c3 = 2.0 * v3;
90 <      
90 >      c0 = c0/2;
91 >      c1 = c1/2;
92 >      c2 = c2/2;
93 >      c3 = c3/2;
94 >      // I change the parameter to half to see if this is the problem.
95        setCoefficient(0, c0);
96        setCoefficient(1, c1);
97        setCoefficient(2, c2);

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