Disable awh-potential=convolved when using AWH with pull and FEP

[alexxy/gromacs.git] / src / gromacs / applied_forces / awh / biasstate.cpp

diff --git a/src/gromacs/applied_forces/awh/biasstate.cpp b/src/gromacs/applied_forces/awh/biasstate.cpp
index 1754ac7f104b1e4af40794e7b922946b7ca6cdf2..50c646f023d9fb0144d216bc6e96e0260d129f61 100644 (file)
--- a/src/gromacs/applied_forces/awh/biasstate.cpp
+++ b/src/gromacs/applied_forces/awh/biasstate.cpp
@@ -543,18 +543,12 @@ double BiasState::moveUmbrella(const std::vector<DimParams>& dimParams,
                                gmx::ArrayRef<double>         biasForce,
                                int64_t                       step,
                                int64_t                       seed,
-                               int                           indexSeed,
-                               bool                          onlySampleUmbrellaGridpoint)
+                               int                           indexSeed)
 {
     /* Generate and set a new coordinate reference value */
     coordState_.sampleUmbrellaGridpoint(grid, coordState_.gridpointIndex(), probWeightNeighbor,
                                         step, seed, indexSeed);
 
-    if (onlySampleUmbrellaGridpoint)
-    {
-        return 0;
-    }
-
     std::vector<double> newForce(dimParams.size());
     double              newPotential = calcUmbrellaForceAndPotential(
             dimParams, grid, coordState_.umbrellaGridpoint(), neighborLambdaDhdl, newForce);