Remove t_mdatoms from Nbnxm setAtomProperties()

[alexxy/gromacs.git] / src / gromacs / nbnxm / nbnxm.h

diff --git a/src/gromacs/nbnxm/nbnxm.h b/src/gromacs/nbnxm/nbnxm.h
index d5ced753f7cc2b2f2d8dac8d3e4508a486b39d28..f1d7bed568c33e9481702e9ea8415f4a8240df0d 100644 (file)
--- a/src/gromacs/nbnxm/nbnxm.h
+++ b/src/gromacs/nbnxm/nbnxm.h
@@ -266,7 +266,9 @@ public:
                            t_nrnb*                      nrnb);
 
     //! Updates all the atom properties in Nbnxm
-    void setAtomProperties(const t_mdatoms& mdatoms, gmx::ArrayRef<const int> atomInfo);
+    void setAtomProperties(gmx::ArrayRef<const int>  atomTypes,
+                           gmx::ArrayRef<const real> atomCharges,
+                           gmx::ArrayRef<const int>  atomInfo);
 
     /*!\brief Convert the coordinates to NBNXM format for the given locality.
      *