--- trunk/src/restraints/ObjectRestraint.cpp 2010/01/20 16:04:40 1407 +++ branches/development/src/restraints/ObjectRestraint.cpp 2012/07/06 22:01:58 1767 @@ -36,7 +36,8 @@ * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). - * [4] Vardeman & Gezelter, in progress (2009). + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ #include "restraints/ObjectRestraint.hpp" @@ -70,13 +71,12 @@ namespace OpenMD { Quat4d quat = temp.toQuaternion(); - RealType twistAngle, swingAngle; + RealType twistAngle; Vector3d swingAxis; RealType swingX, swingY; quat.toSwingTwist(swingX, swingY, twistAngle); - RealType dVdtwist, dVdswingX, dVdswingY; RealType dTwist, dSwingX, dSwingY; RealType p;