Move read_tps_conf() to confio.h

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

diff --git a/src/gromacs/gmxana/gmx_density.c b/src/gromacs/gmxana/gmx_density.c
index fb452e963ffabea20eee41ea549a7f9c4db909c9..29bd719c4380249654e5134386405de7e8543bce 100644 (file)
--- a/src/gromacs/gmxana/gmx_density.c
+++ b/src/gromacs/gmxana/gmx_density.c
@@ -42,7 +42,6 @@
 #include <string.h>
 
 #include "gromacs/commandline/pargs.h"
-#include "gromacs/fileio/tpxio.h"
 #include "gromacs/fileio/trxio.h"
 #include "gromacs/fileio/xvgr.h"
 #include "gromacs/gmxana/gmx_ana.h"
@@ -158,7 +157,7 @@ void center_coords(t_atoms *atoms, atom_id *index_center, int ncenter,
         com[m] /= tmass;
     }
     calc_box_center(ecenterDEF, box, box_center);
-    rvec_sub(box_center, com, shift);
+    rvec_sub(com, box_center, shift);
 
     /* Important - while the center was calculated based on a group, we should move all atoms */
     for (i = 0; (i < atoms->nr); i++)