--- trunk/src/primitives/GhostTorsion.cpp	2005/01/26 15:15:09	275
+++ trunk/src/primitives/GhostTorsion.cpp	2006/05/17 21:51:42	963
@@ -1,4 +1,4 @@
- /*
+/*
  * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
  *
  * The University of Notre Dame grants you ("Licensee") a
@@ -43,10 +43,10 @@ namespace oopse {
 
 namespace oopse {
 
-GhostTorsion::GhostTorsion(Atom *atom1, Atom *atom2,  DirectionalAtom* ghostAtom,
-                 TorsionType *tt) : Torsion(atom1, atom2, ghostAtom, ghostAtom, tt) {}
+  GhostTorsion::GhostTorsion(Atom *atom1, Atom *atom2,  DirectionalAtom* ghostAtom,
+			     TorsionType *tt) : Torsion(atom1, atom2, ghostAtom, ghostAtom, tt) {}
 
-void GhostTorsion::calcForce() {
+  void GhostTorsion::calcForce(RealType& angle) {
     DirectionalAtom* ghostAtom = static_cast<DirectionalAtom*>(atom3_);    
 
     Vector3d pos1 = atom1_->getPos();
@@ -59,28 +59,25 @@ void GhostTorsion::calcForce() {
 
     //  Calculate the cross products and distances
     Vector3d A = cross(r21, r32);
-    double rA = A.length();
+    RealType rA = A.length();
     Vector3d B = cross(r32, r43);
-    double rB = B.length();
+    RealType rB = B.length();
     Vector3d C = cross(r32, A);
-    double rC = C.length();
+    RealType rC = C.length();
 
     A.normalize();
     B.normalize();
     C.normalize();
     
     //  Calculate the sin and cos
-    double cos_phi = dot(A, B) ;
-    double sin_phi = dot(C, B);
+    RealType cos_phi = dot(A, B) ;
 
-    double dVdPhi;
-    torsionType_->calcForce(cos_phi, sin_phi, potential_, dVdPhi);
+    RealType dVdcosPhi;
+    torsionType_->calcForce(cos_phi, potential_, dVdcosPhi);
 
     Vector3d dcosdA = (cos_phi * A - B) /rA;
     Vector3d dcosdB = (cos_phi * B - A) /rB;
 
-    double dVdcosPhi = -dVdPhi / sin_phi;
-
     Vector3d f1 = dVdcosPhi * cross(r32, dcosdA);
     Vector3d f2 = dVdcosPhi * ( cross(r43, dcosdB) - cross(r21, dcosdA));
     Vector3d f3 = dVdcosPhi * cross(dcosdB, r32);
@@ -92,7 +89,9 @@ void GhostTorsion::calcForce() {
 
     f3.negate();
     ghostAtom->addTrq(cross(r43, f3));    
-}
 
+    angle = acos(cos_phi) /M_PI * 180.0;
+  }
+
 }