Make AWH parameters proper C++

[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 d7c35b2351bb6370ddfae345706f08c3e522da27..1206622f1d86090713380d0b46ed47b074619a4e 100644 (file)
--- a/src/gromacs/applied_forces/awh/biasstate.cpp
+++ b/src/gromacs/applied_forces/awh/biasstate.cpp
@@ -1831,7 +1831,7 @@ void BiasState::initGridPointState(const AwhBiasParams&      awhBiasParams,
     /* Modify PMF, free energy and the constant target distribution factor
      * to user input values if there is data given.
      */
-    if (awhBiasParams.bUserData)
+    if (awhBiasParams.userPMFEstimate())
     {
         readUserPmfAndTargetDistribution(dimParams, grid, filename, numBias, params.biasIndex, &points_);
         setFreeEnergyToConvolvedPmf(dimParams, grid);