From bfc70c3c92fd922a8320ee158243f2ab94177db8 Mon Sep 17 00:00:00 2001 From: David van der Spoel Date: Thu, 2 May 2013 08:30:23 +0200 Subject: [PATCH] Fixes #1238 g_hydorder does not call set_pbc. Now it does. Change-Id: I1085ca9ad8e8ece1803feee605d39932483a77f9 --- src/tools/gmx_hydorder.c | 1 + 1 file changed, 1 insertion(+) 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); -- 2.22.0