Further improve getDDGridSetup

[alexxy/gromacs.git] / src / gromacs / tools / tune_pme.cpp

diff --git a/src/gromacs/tools/tune_pme.cpp b/src/gromacs/tools/tune_pme.cpp
index 5771c257246aa05acd3c00506067175e1da1e1f0..3d9ab118d78eb983251f86452e75fc25b06047b6 100644 (file)
--- a/src/gromacs/tools/tune_pme.cpp
+++ b/src/gromacs/tools/tune_pme.cpp
@@ -2019,7 +2019,7 @@ static float inspect_tpr(int nfile, t_filenm fnm[], real *rcoulomb)
     *rcoulomb = ir->rcoulomb;
 
     /* Return the estimate for the number of PME nodes */
-    float npme = pme_load_estimate(&mtop, ir, state.box);
+    float npme = pme_load_estimate(mtop, *ir, state.box);
     return npme;
 }