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" |
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" |
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" |