Remove unnecessary config.h includes

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

diff --git a/src/gromacs/gmxana/gmx_genpr.c b/src/gromacs/gmxana/gmx_genpr.c
index 81aafc9df84d1b3c8e3f8bd74e8d0c252af12f05..a883f697a8c96dd993235a9ba07fba555e48b465 100644 (file)
--- a/src/gromacs/gmxana/gmx_genpr.c
+++ b/src/gromacs/gmxana/gmx_genpr.c
@@ -34,22 +34,21 @@
  * 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 "sysstuff.h"
-#include "gromacs/commandline/pargs.h"
 #include <string.h>
-#include "smalloc.h"
-#include "typedefs.h"
+
+#include "gromacs/commandline/pargs.h"
+#include "gromacs/utility/smalloc.h"
+#include "gromacs/legacyheaders/typedefs.h"
 #include "gromacs/fileio/confio.h"
-#include "gromacs/fileio/futil.h"
-#include "macros.h"
-#include "vec.h"
-#include "index.h"
-#include "gmx_fatal.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/topology/index.h"
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/fatalerror.h"
 #include "gmx_ana.h"
 
 int gmx_genpr(int argc, char *argv[])
@@ -183,7 +182,7 @@ int gmx_genpr(int argc, char *argv[])
                 fprintf(out, "%d\n", i+1);
             }
         }
-        ffclose(out);
+        gmx_ffclose(out);
     }
     else if ((bDisre || bConstr) && x)
     {
@@ -231,12 +230,12 @@ int gmx_genpr(int argc, char *argv[])
                         hi = d+dd;
                         fprintf(out, "%5d %5d %1d %5d %10d %10g %10g %10g %10g\n",
                                 ind_grp[i]+1, ind_grp[j]+1, 1, k, 1,
-                                lo, hi, hi+1, 1.0);
+                                lo, hi, hi+disre_up2, 1.0);
                     }
                 }
             }
         }
-        ffclose(out);
+        gmx_ffclose(out);
     }
     else
     {
@@ -252,7 +251,7 @@ int gmx_genpr(int argc, char *argv[])
             fprintf(out, "%4d %4d %10g %10g %10g\n",
                     ind_grp[i]+1, 1, fc[XX], fc[YY], fc[ZZ]);
         }
-        ffclose(out);
+        gmx_ffclose(out);
     }
     if (xfn)
     {