Remove unnecessary config.h includes

[alexxy/gromacs.git] / src / gromacs / mdlib / wall.c

diff --git a/src/gromacs/mdlib/wall.c b/src/gromacs/mdlib/wall.c
index c5e1e7493a01788eaf4d7d9a7e75ee5449ddc854..38f26e3c1c1d466469b30d6942b7659ab68ca3fb 100644 (file)
--- a/src/gromacs/mdlib/wall.c
+++ b/src/gromacs/mdlib/wall.c
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2008, 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.
@@ -35,21 +35,21 @@
  * 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 <string.h>
-#include "maths.h"
-#include "sysstuff.h"
-#include "typedefs.h"
-#include "macros.h"
-#include "smalloc.h"
-#include "force.h"
+
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/force.h"
+#include "gromacs/legacyheaders/nrnb.h"
+#include "gromacs/math/vec.h"
+
 #include "gromacs/fileio/filenm.h"
-#include "nrnb.h"
-#include "vec.h"
+#include "gromacs/math/utilities.h"
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/smalloc.h"
 
 void make_wall_tables(FILE *fplog, const output_env_t oenv,
                       const t_inputrec *ir, const char *tabfn,
@@ -161,7 +161,7 @@ real do_walls(t_inputrec *ir, t_forcerec *fr, matrix box, t_mdatoms *md,
             }
             else
             {
-                lamfac = 0;
+                lamfac = lambda;
                 type   = md->typeB;
             }
         }
@@ -170,7 +170,7 @@ real do_walls(t_inputrec *ir, t_forcerec *fr, matrix box, t_mdatoms *md,
             lamfac = 1;
             type   = md->typeA;
         }
-        for (i = md->start; i < md->start+md->homenr; i++)
+        for (i = 0; i < md->homenr; i++)
         {
             for (w = 0; w < nwall; w++)
             {