Added missing serialization of PME parameters alpha, nx, ny, nz for NonbondedForce.

serialization/src/NonbondedForceProxy.cpp

@@ -51,6 +51,14 @@ void NonbondedForceProxy::serialize(const void* object, SerializationNode& node)
     node.setDoubleProperty("ewaldTolerance", force.getEwaldErrorTolerance());
     node.setDoubleProperty("rfDielectric", force.getReactionFieldDielectric());
     node.setIntProperty("dispersionCorrection", force.getUseDispersionCorrection());
+    double alpha;
+    int nx, ny, nz;
+    force.getPMEParameters(alpha, nx, ny, nz);
+    node.setDoubleProperty("alpha", alpha);
+    node.setIntProperty("nx", nx);
+    node.setIntProperty("ny", ny);
+    node.setIntProperty("nz", nz);
+    node.setIntProperty("recipForceGroup", force.getReciprocalSpaceForceGroup());
     SerializationNode& particles = node.createChildNode("Particles");
     for (int i = 0; i < force.getNumParticles(); i++) {
         double charge, sigma, epsilon;
@@ -78,6 +86,14 @@ void* NonbondedForceProxy::deserialize(const SerializationNode& node) const {
         force->setEwaldErrorTolerance(node.getDoubleProperty("ewaldTolerance"));
         force->setReactionFieldDielectric(node.getDoubleProperty("rfDielectric"));
         force->setUseDispersionCorrection(node.getIntProperty("dispersionCorrection"));
+        double alpha;
+        int nx, ny, nz;
+        alpha = node.getDoubleProperty("alpha");
+        nx = node.getIntProperty("nx");
+        ny = node.getIntProperty("ny");
+        nz = node.getIntProperty("nz");
+        force->setPMEParameters(alpha, nx, ny, nz);
+        force->setReciprocalSpaceForceGroup(node.getIntProperty("recipForceGroup"));
         const SerializationNode& particles = node.getChildNode("Particles");
         for (int i = 0; i < (int) particles.getChildren().size(); i++) {
             const SerializationNode& particle = particles.getChildren()[i];

serialization/tests/TestSerializeNonbondedForce.cpp

@@ -49,6 +49,9 @@ void testSerialization() {
     force.setEwaldErrorTolerance(1e-3);
     force.setReactionFieldDielectric(50.0);
     force.setUseDispersionCorrection(false);
+    double alpha = 0.5;
+    int nx = 3, ny = 5, nz = 7;
+    force.setPMEParameters(alpha, nx, ny, nz);
     force.addParticle(1, 0.1, 0.01);
     force.addParticle(0.5, 0.2, 0.02);
     force.addParticle(-0.5, 0.3, 0.03);
@@ -72,6 +75,13 @@ void testSerialization() {
     ASSERT_EQUAL(force.getReactionFieldDielectric(), force2.getReactionFieldDielectric());
     ASSERT_EQUAL(force.getUseDispersionCorrection(), force2.getUseDispersionCorrection());
     ASSERT_EQUAL(force.getNumParticles(), force2.getNumParticles());
+    double alpha2;
+    int nx2, ny2, nz2;
+    force2.getPMEParameters(alpha2, nx2, ny2, nz2);
+    ASSERT_EQUAL(alpha, alpha2);
+    ASSERT_EQUAL(nx, nx2);
+    ASSERT_EQUAL(ny, ny2);
+    ASSERT_EQUAL(nz, nz2);    
     for (int i = 0; i < force.getNumParticles(); i++) {
         double charge1, sigma1, epsilon1;
         double charge2, sigma2, epsilon2;