fix check_assign_interactions_atom()

fix a bug introduced in gromacs/gromacs@c507ae4d3f4b0d516e53896dac35a52911a8a44b

Thanks Berk Hess for the guidance to the right fix

Refs. gromacs/gromacs#3635

diff --git a/src/gromacs/domdec/domdec_topology.cpp b/src/gromacs/domdec/domdec_topology.cpp
index fe4f8c82ee82a9e53ba9bd4cf05cadd865f0d595..59815003f13adb6376e5c5adac4cb2fe9f0863b1 100644 (file)
--- a/src/gromacs/domdec/domdec_topology.cpp
+++ b/src/gromacs/domdec/domdec_topology.cpp
@@ -1088,7 +1088,6 @@ static inline void check_assign_interactions_atom(int                       i,
             {
                 add_vsite(*dd->ga2la, index, rtil, ftype, nral, TRUE, i, i_gl, i_mol, iatoms.data(), idef);
             }
-            j += 1 + nral + 2;
         }
         else
         {
@@ -1248,8 +1247,8 @@ static inline void check_assign_interactions_atom(int                       i,
                     (*nbonded_local)++;
                 }
             }
-            j += 1 + nral;
         }
+        j += 1 + nral_rt(ftype);
     }
 }