Intermolecular bonded interaction support added

[alexxy/gromacs.git] / src / gromacs / domdec / domdec.cpp

diff --git a/src/gromacs/domdec/domdec.cpp b/src/gromacs/domdec/domdec.cpp
index 2cb8e7a64d6122b6622367354a9565fe825f687b..4f31d1fe5473a391cb156e389e408aa9e61944e3 100644 (file)
--- a/src/gromacs/domdec/domdec.cpp
+++ b/src/gromacs/domdec/domdec.cpp
@@ -6740,7 +6740,8 @@ gmx_domdec_t *init_domain_decomposition(FILE *fplog, t_commrec *cr,
 
     comm->bCGs = (ncg_mtop(mtop) < mtop->natoms);
 
-    comm->bInterCGBondeds = (ncg_mtop(mtop) > mtop->mols.nr);
+    comm->bInterCGBondeds = ((ncg_mtop(mtop) > mtop->mols.nr) ||
+                             mtop->bIntermolecularInteractions);
     if (comm->bInterCGBondeds)
     {
         comm->bInterCGMultiBody = (multi_body_bondeds_count(mtop) > 0);