Fix long-range vdW correction for real systems.

b0c5b0c1 · Jason Swails · f4d5ab3d · b0c5b0c1
Commit b0c5b0c1 authored Mar 02, 2014 by Jason Swails
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openmmapi/src/NonbondedForceImpl.cpp openmmapi/src/NonbondedForceImpl.cpp +1 -1

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--- a/openmmapi/src/NonbondedForceImpl.cpp
+++ b/openmmapi/src/NonbondedForceImpl.cpp
@@ -259,7 +259,7 @@ double NonbondedForceImpl::calcDispersionCorrection(const System& system, const
            if (useSwitch)
                sum3 += count*epsilon*(evalIntegral(cutoff, switchDist, cutoff, sigma)-evalIntegral(switchDist, switchDist, cutoff, sigma));
        }
-    int numParticles = system.getNumParticles();
+    double numParticles = (double) system.getNumParticles();
    int numInteractions = (numParticles*(numParticles+1))/2;
    sum1 /= numInteractions;
    sum2 /= numInteractions;