Remove t_mdatoms from Nbnxm setAtomProperties()

[alexxy/gromacs.git] / src / gromacs / mdlib / sim_util.cpp

diff --git a/src/gromacs/mdlib/sim_util.cpp b/src/gromacs/mdlib/sim_util.cpp
index 31b0955b5b421dc503cefe7fba855ea0723d453f..ca42600eda8170b33f94e5dd331d1c0e06d1fe9d 100644 (file)
--- a/src/gromacs/mdlib/sim_util.cpp
+++ b/src/gromacs/mdlib/sim_util.cpp
@@ -1213,7 +1213,8 @@ void do_force(FILE*                               fplog,
             wallcycle_sub_stop(wcycle, ewcsNBS_GRID_NONLOCAL);
         }
 
-        nbv->setAtomProperties(*mdatoms, fr->cginfo);
+        nbv->setAtomProperties(gmx::constArrayRefFromArray(mdatoms->typeA, mdatoms->nr),
+                               gmx::constArrayRefFromArray(mdatoms->chargeA, mdatoms->nr), fr->cginfo);
 
         wallcycle_stop(wcycle, ewcNS);