Fix nst in density-fitting module

An error in the nst variable led to forces from density-guided
simulations to be applied every step, because its internal step
counter would stay at 0.

Change-Id: Ib8b33b407bfe9c56bab497f7e2d505843675afca
refs: #2282

diff --git a/src/gromacs/applied_forces/densityfittingforceprovider.cpp b/src/gromacs/applied_forces/densityfittingforceprovider.cpp
index 5815001897d65a3a452d2fc41595e5cf026529ae..37d5bae124d8055745aa633176e326f6977398fb 100644 (file)
--- a/src/gromacs/applied_forces/densityfittingforceprovider.cpp
+++ b/src/gromacs/applied_forces/densityfittingforceprovider.cpp
@@ -188,7 +188,7 @@ void DensityFittingForceProvider::Impl::calculateForces(const ForceProviderInput
         return;
     }
 
-    state_.stepsSinceLastCalculation_ = 0;
+    state_.stepsSinceLastCalculation_ = 1;
 
     // do nothing if there are no density fitting atoms on this node
     if (localAtomSet_.numAtomsLocal() == 0)