--- trunk/src/flucq/FluctuatingChargeConstraints.cpp 2013/07/29 17:55:17 1915 +++ trunk/src/flucq/FluctuatingChargeConstraints.cpp 2013/07/31 19:30:46 1920 @@ -51,7 +51,6 @@ namespace OpenMD { FluctuatingChargeConstraints::FluctuatingChargeConstraints(SimInfo* info) : info_(info), constrainRegions_(false), hasFlucQ_(false), initialized_(false) { - } void FluctuatingChargeConstraints::initialize(){ @@ -100,6 +99,7 @@ namespace OpenMD { void FluctuatingChargeConstraints::applyConstraints() { if (!initialized_) initialize(); if (!hasFlucQ_) return; + SimInfo::MoleculeIterator i; Molecule::FluctuatingChargeIterator j; Molecule* mol;