Merge release-4-6 into master

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

diff --git a/src/gromacs/gmxana/gmx_hydorder.c b/src/gromacs/gmxana/gmx_hydorder.c
index f873b03e41913d1ab8113ae6208fec54bb31b318..3b6e9700040137164ca850edf314c3b422c26762 100644 (file)
--- a/src/gromacs/gmxana/gmx_hydorder.c
+++ b/src/gromacs/gmxana/gmx_hydorder.c
@@ -132,6 +132,7 @@ 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);