Introduce AngleInteractionType

[alexxy/gromacs.git] / api / nblib / samples / methane-water-integration.cpp

diff --git a/api/nblib/samples/methane-water-integration.cpp b/api/nblib/samples/methane-water-integration.cpp
index 8012de656b24d31d72ef7cbcc360eae4dc44f582..127433d232f245d51194e76a69ab27ddcd92c5bd 100644 (file)
--- a/api/nblib/samples/methane-water-integration.cpp
+++ b/api/nblib/samples/methane-water-integration.cpp
@@ -96,8 +96,8 @@ int main()
     HarmonicBondType ohHarmonicBond(1, 1);
     HarmonicBondType hcHarmonicBond(2, 1);
 
-    HarmonicAngle hohAngle(Degrees(120), 1);
-    HarmonicAngle hchAngle(Degrees(109.5), 1);
+    HarmonicAngle hohAngle(1, Degrees(120));
+    HarmonicAngle hchAngle(1, Degrees(109.5));
 
     // add harmonic bonds for water
     water.addInteraction(ParticleName("O"), ParticleName("H1"), ohHarmonicBond);