Fixes #1238 g_hydorder does not call set_pbc.

[alexxy/gromacs.git] / src / tools / gmx_hydorder.c

diff --git a/src/tools/gmx_hydorder.c b/src/tools/gmx_hydorder.c
index c614bc6c952b28b1745d2d91bdf600908671117b..a2b2d530afeae0c1d411f8085917f47b9f71a9a0 100644 (file)
--- 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);