Sort all includes in src/gromacs

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

diff --git a/src/gromacs/gmxana/gmx_energy.c b/src/gromacs/gmxana/gmx_energy.c
index c5c8447dc7ce2f13afe65277da1593337158a1a7..3319c96e81e0a98a7c0dcc89e7ef2c5d6a58d5eb 100644 (file)
--- a/src/gromacs/gmxana/gmx_energy.c
+++ b/src/gromacs/gmxana/gmx_energy.c
@@ -36,31 +36,29 @@
  */
 #include "gmxpre.h"
 
-#include "config.h"
-
 #include <math.h>
 #include <stdlib.h>
 #include <string.h>
 
-#include "gromacs/legacyheaders/typedefs.h"
-#include "gromacs/utility/fatalerror.h"
-#include "gromacs/math/vec.h"
-#include "gromacs/utility/cstringutil.h"
-#include "gromacs/utility/smalloc.h"
-#include "gromacs/fileio/enxio.h"
 #include "gromacs/commandline/pargs.h"
-#include "gromacs/legacyheaders/names.h"
-#include "gromacs/legacyheaders/copyrite.h"
-#include "gromacs/legacyheaders/macros.h"
-#include "gromacs/fileio/xvgr.h"
-#include "gstat.h"
-#include "gromacs/math/units.h"
+#include "gromacs/fileio/enxio.h"
 #include "gromacs/fileio/tpxio.h"
 #include "gromacs/fileio/trxio.h"
+#include "gromacs/fileio/xvgr.h"
+#include "gromacs/gmxana/gmx_ana.h"
+#include "gromacs/gmxana/gstat.h"
+#include "gromacs/legacyheaders/copyrite.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/mdebin.h"
+#include "gromacs/legacyheaders/names.h"
+#include "gromacs/legacyheaders/typedefs.h"
 #include "gromacs/legacyheaders/viewit.h"
+#include "gromacs/math/units.h"
+#include "gromacs/math/vec.h"
 #include "gromacs/topology/mtop_util.h"
-#include "gmx_ana.h"
-#include "gromacs/legacyheaders/mdebin.h"
+#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
 
 static real       minthird = -1.0/3.0, minsixth = -1.0/6.0;
 
@@ -2029,7 +2027,7 @@ int gmx_energy(int argc, char *argv[])
     t_filenm           fnm[] = {
         { efEDR, "-f",    NULL,      ffREAD  },
         { efEDR, "-f2",   NULL,      ffOPTRD },
-        { efTPX, "-s",    NULL,      ffOPTRD },
+        { efTPR, "-s",    NULL,      ffOPTRD },
         { efXVG, "-o",    "energy",  ffWRITE },
         { efXVG, "-viol", "violaver", ffOPTWR },
         { efXVG, "-pairs", "pairs",   ffOPTWR },
@@ -2174,7 +2172,7 @@ int gmx_energy(int argc, char *argv[])
 
         if (bORIRE || bOTEN)
         {
-            get_orires_parms(ftp2fn(efTPX, NFILE, fnm), &nor, &nex, &or_label, &oobs);
+            get_orires_parms(ftp2fn(efTPR, NFILE, fnm), &nor, &nex, &or_label, &oobs);
         }
 
         if (bORIRE)
@@ -2299,7 +2297,7 @@ int gmx_energy(int argc, char *argv[])
     }
     else if (bDisRe)
     {
-        nbounds = get_bounds(ftp2fn(efTPX, NFILE, fnm), &bounds, &index, &pair, &npairs,
+        nbounds = get_bounds(ftp2fn(efTPR, NFILE, fnm), &bounds, &index, &pair, &npairs,
                              &mtop, &top, &ir);
         snew(violaver, npairs);
         out = xvgropen(opt2fn("-o", NFILE, fnm), "Sum of Violations",
@@ -2318,7 +2316,7 @@ int gmx_energy(int argc, char *argv[])
     }
     else if (bDHDL)
     {
-        get_dhdl_parms(ftp2fn(efTPX, NFILE, fnm), &ir);
+        get_dhdl_parms(ftp2fn(efTPR, NFILE, fnm), &ir);
     }
 
     /* Initiate energies and set them to zero */