Factor of 1/(4*pi*eps0) does not belong in GB/VI nonpolar term

Factor of 1/(4pieps0) does not belong in GB/VI nonpolar term
ba23b627 · Mark Friedrichs · 47171144 · ba23b627
Commit ba23b627 authored May 06, 2010 by Mark Friedrichs
Hide whitespace changes
Inline Side-by-side

Showing with 1 addition and 1 deletion

platforms/reference/tests/TestReferenceCustomGBForce.cpp platforms/reference/tests/TestReferenceCustomGBForce.cpp +1 -1

No files found.
--- a/platforms/reference/tests/TestReferenceCustomGBForce.cpp
+++ b/platforms/reference/tests/TestReferenceCustomGBForce.cpp
@@ -300,7 +300,7 @@ static CustomGBForce* createCustomGBVI( double solventDielectric, double soluteD
    // nonpolar term + polar self energy
-    customGbviForce->addEnergyTerm("-138.935485*((1.0/soluteDielectric)-(1.0/solventDielectric))*((gamma*(radius/B)^3)+(0.5*q^2/B))", CustomGBForce::SingleParticle);
+    customGbviForce->addEnergyTerm("(-138.935485*0.5*((1.0/soluteDielectric)-(1.0/solventDielectric))*q^2/B)-((1.0/soluteDielectric)-(1.0/solventDielectric))*((gamma*(radius/B)^3))", CustomGBForce::SingleParticle);
    // polar pair energy