Avoid incorrectly adding plasma correction (#5117)

895fcd4c · Peter Eastman · GitHub · 58378cce · 895fcd4c
Unverified Commit 895fcd4c authored Oct 22, 2025 by Peter Eastman Committed by GitHub Oct 22, 2025
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platforms/common/src/CommonCalcNonbondedForce.cpp platforms/common/src/CommonCalcNonbondedForce.cpp +1 -1

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--- a/platforms/common/src/CommonCalcNonbondedForce.cpp
+++ b/platforms/common/src/CommonCalcNonbondedForce.cpp
@@ -909,7 +909,7 @@ double CommonCalcNonbondedForceKernel::execute(ContextImpl& context, bool includ
            // The Ewald self energy was computed in the kernel.

            energy = 0.0;
-            if (pmeGrid1.isInitialized() || cosSinSums.isInitialized()) {
+            if ((pmeGrid1.isInitialized() || cosSinSums.isInitialized()) && includeReciprocal) {
                // Invoke a kernel to compute the correction for the neutralizing plasma.

                Vec3 a, b, c;