Merge release-4-6 into master

[alexxy/gromacs.git] / src / gromacs / mdlib / mdatom.c

diff --git a/src/gromacs/mdlib/mdatom.c b/src/gromacs/mdlib/mdatom.c
index 826df3160a4f7b579ffdfbc087cb0ca409884c53..d41e94dfe8e992dcff8687c0b0e94cebb161cb1f 100644 (file)
--- a/src/gromacs/mdlib/mdatom.c
+++ b/src/gromacs/mdlib/mdatom.c
@@ -168,12 +168,10 @@ void atoms2md(gmx_mtop_t *mtop,t_inputrec *ir,
     
     if (ir->bQMMM)
       srenew(md->bQM,md->nalloc);
-    if (ir->bAdress)
+    if (ir->bAdress) {
       srenew(md->wf,md->nalloc);
       srenew(md->tf_table_index,md->nalloc);
-
-      md->purecg = FALSE;
-      md->pureex = FALSE;
+    }
   }
 
   alook = gmx_mtop_atomlookup_init(mtop);