From: David van der Spoel <spoel@xray.bmc.uu.se>
Date: Thu, 2 May 2013 06:30:23 +0000 (+0200)
Subject: Fixes #1238 g_hydorder does not call set_pbc.
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=bfc70c3c92fd922a8320ee158243f2ab94177db8;p=alexxy%2Fgromacs.git

Fixes #1238 g_hydorder does not call set_pbc.

Now it does.

Change-Id: I1085ca9ad8e8ece1803feee605d39932483a77f9
---

diff --git a/src/tools/gmx_hydorder.c b/src/tools/gmx_hydorder.c
index c614bc6c95..a2b2d530af 100644
--- a/src/tools/gmx_hydorder.c
+++ b/src/tools/gmx_hydorder.c
@@ -135,6 +135,7 @@ static void find_tetra_order_grid(t_topology top, int ePBC,
     snew(skmol, maxidx);
 
     /* Must init pbc every step because of pressure coupling */
+    set_pbc(&pbc,ePBC,box);
     gpbc = gmx_rmpbc_init(&top.idef, ePBC, natoms, box);
     gmx_rmpbc(gpbc, natoms, box, x);