From: Berk Hess <hess@kth.se>
Date: Mon, 15 Dec 2014 19:31:44 +0000 (+0100)
Subject: Fixed pbc=xy + 2 walls + Verlet scheme
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=30782acb86cf2580f528c30a5f44ff98aacce21f;p=alexxy%2Fgromacs.git

Fixed pbc=xy + 2 walls + Verlet scheme

Fixes #1660.

Change-Id: Id28f5d164c24d9bc6cb80faa8f4cba5e95262995
---

diff --git a/src/gromacs/mdlib/domdec.c b/src/gromacs/mdlib/domdec.c
index ce88e2e380..2ebc52e545 100644
--- a/src/gromacs/mdlib/domdec.c
+++ b/src/gromacs/mdlib/domdec.c
@@ -8718,7 +8718,7 @@ static void set_zones_size(gmx_domdec_t *dd,
         /* To determine the bounding box for a zone we need to find
          * the extreme corners of 4, 2 or 1 corners.
          */
-        nc = 1 << (ddbox->npbcdim - 1);
+        nc = 1 << (ddbox->nboundeddim - 1);
 
         for (c = 0; c < nc; c++)
         {