Sort all includes in src/gromacs

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

diff --git a/src/gromacs/gmxana/gmx_rama.c b/src/gromacs/gmxana/gmx_rama.c
index f5db3dfada26f097ec0913d69e94354fc00d4810..5198b0c730502b0d05651f3a56a1a56cf19b5f67 100644 (file)
--- a/src/gromacs/gmxana/gmx_rama.c
+++ b/src/gromacs/gmxana/gmx_rama.c
@@ -39,17 +39,17 @@
 #include <math.h>
 #include <string.h>
 
-#include "gromacs/legacyheaders/typedefs.h"
-#include "gromacs/utility/smalloc.h"
-#include "gromacs/legacyheaders/macros.h"
-#include "gromacs/math/vec.h"
+#include "gromacs/commandline/pargs.h"
 #include "gromacs/fileio/xvgr.h"
+#include "gromacs/gmxana/gmx_ana.h"
+#include "gromacs/gmxana/nrama.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/legacyheaders/typedefs.h"
 #include "gromacs/legacyheaders/viewit.h"
 #include "gromacs/math/units.h"
+#include "gromacs/math/vec.h"
 #include "gromacs/utility/futil.h"
-#include "gromacs/commandline/pargs.h"
-#include "nrama.h"
-#include "gmx_ana.h"
+#include "gromacs/utility/smalloc.h"
 
 
 static void plot_rama(FILE *out, t_xrama *xr)
@@ -80,7 +80,7 @@ int gmx_rama(int argc, char *argv[])
     output_env_t oenv;
     t_filenm     fnm[] = {
         { efTRX, "-f", NULL,  ffREAD },
-        { efTPX, NULL, NULL,  ffREAD },
+        { efTPR, NULL, NULL,  ffREAD },
         { efXVG, NULL, "rama", ffWRITE }
     };
 #define NFILE asize(fnm)
@@ -93,7 +93,7 @@ int gmx_rama(int argc, char *argv[])
 
 
     snew(xr, 1);
-    init_rama(oenv, ftp2fn(efTRX, NFILE, fnm), ftp2fn(efTPX, NFILE, fnm), xr, 3);
+    init_rama(oenv, ftp2fn(efTRX, NFILE, fnm), ftp2fn(efTPR, NFILE, fnm), xr, 3);
 
     out = xvgropen(ftp2fn(efXVG, NFILE, fnm), "Ramachandran Plot", "Phi", "Psi", oenv);
     xvgr_line_props(out, 0, elNone, ecFrank, oenv);