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root/OpenMD/trunk/src/restraints/Restraints.cpp
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Comparing trunk/src/restraints/Restraints.cpp (file contents):
Revision 665 by tim, Thu Oct 13 22:26:47 2005 UTC vs.
Revision 666 by chrisfen, Fri Oct 14 14:18:02 2005 UTC

# Line 65 | Line 65 | namespace oopse {
65          kDist = simParam->getThermIntDistSpringConst();
66        }
67        else{
68 <        kDist = 6.0;
68 >        kDist = simParam->getThermIntDistSpringConst();
69          sprintf(painCave.errMsg,
70                  "ThermoIntegration Warning: the spring constant for the\n"
71                  "\ttranslational restraint was not specified. OOPSE will use\n"
# Line 79 | Line 79 | namespace oopse {
79          kTheta = simParam->getThermIntThetaSpringConst();
80        }
81        else{
82 <        kTheta = 7.5;
82 >        kTheta = simParam->getThermIntThetaSpringConst();
83          sprintf(painCave.errMsg,
84                  "ThermoIntegration Warning: the spring constant for the\n"
85                  "\tdeflection orientational restraint was not specified.\n"
# Line 93 | Line 93 | namespace oopse {
93          kOmega = simParam->getThermIntOmegaSpringConst();
94        }
95        else{
96 <        kOmega = 13.5;
96 >        kOmega = simParam->getThermIntOmegaSpringConst();
97          sprintf(painCave.errMsg,
98                  "ThermoIntegration Warning: the spring constant for the\n"
99                  "\tspin orientational restraint was not specified. OOPSE\n"

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