Commit 1079a319 authored by Mark Friedrichs's avatar Mark Friedrichs
Browse files

Interface change for computeBornRadii() method

parent 4d499572
......@@ -375,7 +375,7 @@ double ReferenceFreeEnergyCalcGBVISoftcoreForceKernel::execute(ContextImpl& cont
vector<RealVec>& posData = extractPositions(context);
vector<RealOpenMM> bornRadii(context.getSystem().getNumParticles());
gbviSoftcore->computeBornRadii(posData, bornRadii, NULL );
gbviSoftcore->computeBornRadii(posData, bornRadii );
if (includeForces) {
vector<RealVec>& forceData = extractForces(context);
gbviSoftcore->computeBornForces(bornRadii, posData, &charges[0], forceData);
......
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