--- branches/development/src/nonbonded/GB.cpp	2011/03/18 19:31:52	1544
+++ branches/development/src/nonbonded/GB.cpp	2011/04/08 21:25:19	1545
@@ -267,8 +267,7 @@ namespace OpenMD {
 
     if (!initialized_) initialize();
     
-    pair<AtomType*, AtomType*> key = make_pair(idat.atype1, idat.atype2);
-    GBInteractionData mixer = MixingMap[key];
+    GBInteractionData mixer = MixingMap[idat.atypes];
 
     RealType sigma0 = mixer.sigma0;
     RealType dw     = mixer.dw;
@@ -285,8 +284,8 @@ namespace OpenMD {
 
     RealType a, b, g;
 
-    bool i_is_LJ = idat.atype1->isLennardJones();
-    bool j_is_LJ = idat.atype2->isLennardJones();
+    bool i_is_LJ = idat.atypes.first->isLennardJones();
+    bool j_is_LJ = idat.atypes.second->isLennardJones();
 
     if (i_is_LJ) {
       a = 0.0;
@@ -367,28 +366,28 @@ namespace OpenMD {
 
   }
 
-  RealType GB::getSuggestedCutoffRadius(AtomType* at1, AtomType* at2) {
+  RealType GB::getSuggestedCutoffRadius(pair<AtomType*, AtomType*> atypes) {
     if (!initialized_) initialize();   
 
     RealType cut = 0.0;
 
-    if (at1->isGayBerne()) {
-      GayBerneParam gb1 = getGayBerneParam(at1);
+    if (atypes.first->isGayBerne()) {
+      GayBerneParam gb1 = getGayBerneParam(atypes.first);
       RealType d1 = gb1.GB_d;
       RealType l1 = gb1.GB_l;
       // sigma is actually sqrt(2)*l  for prolate ellipsoids 
       cut = max(cut, 2.5 * sqrt(2.0) * max(d1, l1));
-    } else if (at1->isLennardJones()) {
-      cut = max(cut, 2.5 * getLJSigma(at1));
+    } else if (atypes.first->isLennardJones()) {
+      cut = max(cut, 2.5 * getLJSigma(atypes.first));
     }
 
-    if (at2->isGayBerne()) {
-      GayBerneParam gb2 = getGayBerneParam(at2);
+    if (atypes.second->isGayBerne()) {
+      GayBerneParam gb2 = getGayBerneParam(atypes.second);
       RealType d2 = gb2.GB_d;
       RealType l2 = gb2.GB_l;
       cut = max(cut, 2.5 * sqrt(2.0) * max(d2, l2));
-    } else if (at1->isLennardJones()) {
-      cut = max(cut, 2.5 * getLJSigma(at2));
+    } else if (atypes.second->isLennardJones()) {
+      cut = max(cut, 2.5 * getLJSigma(atypes.second));
     }
    
     return cut;