--- trunk/SHAPES/GridBuilder.cpp	2004/06/22 18:04:58	1285
+++ trunk/SHAPES/GridBuilder.cpp	2004/06/25 17:54:51	1306
@@ -1,5 +1,4 @@
 #include "GridBuilder.hpp"
-#include "MatVec3.h"
 #define PI 3.14159265359
 
 
@@ -25,8 +24,8 @@ void GridBuilder::launchProbe(int forceField, vector<d
   double sigTemp, sTemp, epsTemp, sigProbe;
   double minDist = 10.0; //minimum start distance
 	
-  sList = sGrid;
   sigList = sigmaGrid;
+  sList = sGrid;
   epsList = epsGrid;
   forcefield = forceField;
   
@@ -68,9 +67,10 @@ void GridBuilder::launchProbe(int forceField, vector<d
 
   for (k =0; k < gridwidth; k++) {
     thetaVal = thetaMin + k*thetaStep;
-    printf("Theta step %i\n", k);
     for (j=0; j < gridwidth; j++) {
-      phiVal = j*phiStep;
+      phiVal = j*phiStep + 0.5*PI;
+      if (phiVal>=2*PI)
+        phiVal -= 2*PI;
 
       rbMol->setEuler(0.0, thetaVal, phiVal);
 
@@ -223,3 +223,4 @@ void GridBuilder::printGridFiles(){
     epsOut << epsList[k] << "\n0\n";
   }
 }
+