--- trunk/SHAPES/GridBuilder.cpp	2004/06/23 20:18:48	1287
+++ trunk/SHAPES/GridBuilder.cpp	2004/06/25 18:58:12	1308
@@ -67,9 +67,11 @@ 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;
+      //s2kit10 is actually taking a grid from -pi/2 to 3pi/3, not 0 to 2pi...
+      phiVal = j*phiStep - 0.5*PI;
+       if (phiVal<0.0)
+         phiVal += 2*PI;
 
       rbMol->setEuler(0.0, thetaVal, phiVal);