Add index group option to density fitting

[alexxy/gromacs.git] / src / gromacs / gmxpreprocess / grompp.cpp

diff --git a/src/gromacs/gmxpreprocess/grompp.cpp b/src/gromacs/gmxpreprocess/grompp.cpp
index f15c17ba7d05f854c24c12bd27c617f11b1e998b..6cedcc344100cd74d6f95480a357cea8788cc603 100644 (file)
--- a/src/gromacs/gmxpreprocess/grompp.cpp
+++ b/src/gromacs/gmxpreprocess/grompp.cpp
@@ -2425,7 +2425,7 @@ int gmx_grompp(int argc, char *argv[])
 
     {
         gmx::KeyValueTreeBuilder internalParameterBuilder;
-        mdModules.notifier().notifier_.notify(&internalParameterBuilder);
+        mdModules.notifier().notifier_.notify(internalParameterBuilder.rootObject());
         ir->internalParameters = std::make_unique<gmx::KeyValueTreeObject>(internalParameterBuilder.build());
     }