Fixed an incorrect sign

f55a30ae · peastman · 94944787 · f55a30ae
Commit f55a30ae authored Aug 27, 2013 by peastman
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wrappers/python/simtk/openmm/app/internal/customgbforces.py wrappers/python/simtk/openmm/app/internal/customgbforces.py +1 -1

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--- a/wrappers/python/simtk/openmm/app/internal/customgbforces.py
+++ b/wrappers/python/simtk/openmm/app/internal/customgbforces.py
@@ -200,7 +200,7 @@ def _createEnergyTerms(force, SA, cutoff):
        force.addEnergyTerm("-138.935485*(1/soluteDielectric-1/solventDielectric)*q1*q2/f;"
                            "f=sqrt(r^2+B1*B2*exp(-r^2/(4*B1*B2)))", CustomGBForce.ParticlePairNoExclusions)
    else:
-        force.addEnergyTerm("-138.935485*(1/soluteDielectric-1/solventDielectric)*q1*q2*(1/"+str(cutoff)+"-1/f);"
+        force.addEnergyTerm("-138.935485*(1/soluteDielectric-1/solventDielectric)*q1*q2*(1/f-"+str(1/cutoff)+");"
                            "f=sqrt(r^2+B1*B2*exp(-r^2/(4*B1*B2)))", CustomGBForce.ParticlePairNoExclusions)

 """