Commit ba23b627 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

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

parent 47171144
......@@ -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
......
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