From 30782acb86cf2580f528c30a5f44ff98aacce21f Mon Sep 17 00:00:00 2001 From: Berk Hess Date: Mon, 15 Dec 2014 20:31:44 +0100 Subject: [PATCH] Fixed pbc=xy + 2 walls + Verlet scheme Fixes #1660. Change-Id: Id28f5d164c24d9bc6cb80faa8f4cba5e95262995 --- src/gromacs/mdlib/domdec.c | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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++) { -- 2.22.0