--- branches/development/src/flucq/FluctuatingChargeConstraints.cpp 2013/02/20 15:39:39 1850 +++ branches/development/src/flucq/FluctuatingChargeConstraints.cpp 2013/05/07 19:09:54 1870 @@ -108,7 +108,8 @@ namespace OpenMD { for (atom = mol->beginFluctuatingCharge(j); atom != NULL; atom = mol->nextFluctuatingCharge(j)) { - constrainedFrc = atom->getFlucQFrc() - totalFrc - totalMolFrc; + //constrainedFrc = atom->getFlucQFrc() - totalFrc - totalMolFrc; + constrainedFrc = atom->getFlucQFrc() - totalMolFrc; atom->setFlucQFrc(constrainedFrc); } }