Sort all includes in src/gromacs
[alexxy/gromacs.git] / src / gromacs / gmxana / gmx_saltbr.c
index 23381e2db7486788b0280b27f19b22085d2378f3..46fd1409e178e628c4414ecc238a010bec8d4790 100644 (file)
 #include <math.h>
 #include <string.h>
 
-#include "gromacs/legacyheaders/macros.h"
-#include "gromacs/math/vec.h"
-#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/commandline/pargs.h"
 #include "gromacs/fileio/filenm.h"
 #include "gromacs/fileio/trxio.h"
-#include "gromacs/commandline/pargs.h"
-#include "gromacs/utility/futil.h"
-#include "gromacs/utility/fatalerror.h"
-#include "gromacs/utility/smalloc.h"
-#include "gromacs/pbcutil/pbc.h"
 #include "gromacs/fileio/xvgr.h"
-#include "gmx_ana.h"
-
+#include "gromacs/gmxana/gmx_ana.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/math/vec.h"
+#include "gromacs/pbcutil/pbc.h"
 #include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/utility/smalloc.h"
 
 typedef struct {
     char *label;
@@ -150,7 +148,7 @@ int gmx_saltbr(int argc, char *argv[])
     };
     t_filenm        fnm[] = {
         { efTRX, "-f",  NULL, ffREAD },
-        { efTPX, NULL,  NULL, ffREAD },
+        { efTPR, NULL,  NULL, ffREAD },
     };
 #define NFILE asize(fnm)
 
@@ -190,7 +188,7 @@ int gmx_saltbr(int argc, char *argv[])
         return 0;
     }
 
-    top = read_top(ftp2fn(efTPX, NFILE, fnm), &ePBC);
+    top = read_top(ftp2fn(efTPR, NFILE, fnm), &ePBC);
     cg  = mk_charge(&top->atoms, &(top->cgs), &ncg);
     snew(cgdist, ncg);
     snew(nWithin, ncg);