Use unique_ptr in nonbonded_verlet_t

[alexxy/gromacs.git] / src / gromacs / nbnxm / grid.cpp

diff --git a/src/gromacs/nbnxm/grid.cpp b/src/gromacs/nbnxm/grid.cpp
index 19ed3d1021e9d01e09534e7086bee727e2c841da..3e91161f2ccb8533dc3ab7a019241b571c25d747 100644 (file)
--- a/src/gromacs/nbnxm/grid.cpp
+++ b/src/gromacs/nbnxm/grid.cpp
@@ -1495,7 +1495,7 @@ void nbnxn_put_on_grid(nonbonded_verlet_t             *nbv,
                      lowerCorner, upperCorner,
                      nbs->grid[0].atom_density);
 
-    nbnxn_atomdata_t *nbat = nbv->nbat;
+    nbnxn_atomdata_t *nbat = nbv->nbat.get();
 
     calc_cell_indices(nbs, ddZone, grid, updateGroupsCog, atomStart, atomEnd, atinfo, x, numAtomsMoved, move, nbat);