Sort all includes in src/gromacs

[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / nb_kernel_c / nb_kernel_allvsallgb.c

diff --git a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c
index 61dd9c2fb8825aa63e1dd559f95411680ad51706..be401ee7bc86d6a4e0c7d764a89cde4ae2257342 100644 (file)
--- a/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c
+++ b/src/gromacs/gmxlib/nonbonded/nb_kernel_c/nb_kernel_allvsallgb.c
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2009, The GROMACS Development Team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -34,19 +34,18 @@
  * To help us fund GROMACS development, we humbly ask that you cite
  * the research papers on the package. Check out http://www.gromacs.org.
  */
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
 
-#include <math.h>
+#include "nb_kernel_allvsallgb.h"
 
-#include "types/simple.h"
+#include "config.h"
 
-#include "vec.h"
-#include "smalloc.h"
+#include <math.h>
 
-#include "nb_kernel_allvsallgb.h"
-#include "nrnb.h"
+#include "gromacs/legacyheaders/nrnb.h"
+#include "gromacs/legacyheaders/types/simple.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/utility/smalloc.h"
 
 typedef struct
 {
@@ -297,8 +296,8 @@ nb_kernel_allvsallgb(t_nblist gmx_unused *     nlist,
     vpol                = kernel_data->energygrp_polarization;
 
     natoms              = mdatoms->nr;
-    ni0                 = mdatoms->start;
-    ni1                 = mdatoms->start+mdatoms->homenr;
+    ni0                 = 0;
+    ni1                 = mdatoms->homenr;
 
     aadata              = fr->AllvsAll_work;
     excl                = kernel_data->exclusions;