Remove .tpa, .tpb, .tpx, .trj files. Part of #1500.

[alexxy/gromacs.git] / src / contrib / anaf.c

diff --git a/src/contrib/anaf.c b/src/contrib/anaf.c
index 14df6e3b23c6856fde301c0f15e86897415f3c22..8267fea6b070684dfa4fd5971ca5b94af4f5cc0b 100644 (file)
--- a/src/contrib/anaf.c
+++ b/src/contrib/anaf.c
@@ -1,5 +1,4 @@
 /*
- * $Id$
  * 
  *                This source code is part of
  * 
@@ -7,10 +6,10 @@
  * 
  *          GROningen MAchine for Chemical Simulations
  * 
- *                        VERSION 3.2.0
+ *                        VERSION 3.3.99_development_20071104
  * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
- * Copyright (c) 2001-2004, The GROMACS development team,
+ * Copyright (c) 2001-2006, The GROMACS development team,
  * check out http://www.gromacs.org for more information.
 
  * This program is free software; you can redistribute it and/or
@@ -31,28 +30,30 @@
  * For more info, check our website at http://www.gromacs.org
  * 
  * And Hey:
- * Giving Russians Opium May Alter Current Situation
+ * Groningen Machine for Chemical Simulation
  */
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
 #include <stdio.h>
 #include <string.h>
 #include <math.h>
-#include "main.h"
+
 #include "macros.h"
-#include "futil.h"
-#include "statutil.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/commandline/pargs.h"
 #include "copyrite.h"
-#include "sysstuff.h"
 #include "txtdump.h"
-#include "fatal.h"
-#include "xtcio.h"
-#include "enxio.h"
-#include "assert.h"
-#include "smalloc.h"
-#include "gmxfio.h"
-#include "tpxio.h"
-#include "trnio.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/fileio/xtcio.h"
+#include "gromacs/fileio/enxio.h"
+#include "gromacs/utility/smalloc.h"
+#include "gromacs/fileio/gmxfio.h"
+#include "gromacs/fileio/tpxio.h"
+#include "gromacs/fileio/trnio.h"
 #include "txtdump.h"
-#include "vec.h"
+#include "gromacs/math/vec.h"
 
 static char *nm[5]  = { "OW", "HW1", "HW2", "DW", "SW" };
   
@@ -64,12 +65,12 @@ static void list_trn(char *fn)
   real        mmm,len;
   matrix      box;
   t_trnheader trn;
-  bool        bOK;
+  gmx_bool        bOK;
 
   printf("Going to open %s\n",fn);
   fpread  = open_trn(fn,"r"); 
   fpwrite = open_tpx(NULL,"w");
-  fio_setdebug(fpwrite,TRUE);
+  gmx_fio_setdebug(fpwrite,TRUE);
   
   mmm=mass[0]+2*mass[1];
   for(i=0; (i<5); i++) 
@@ -99,7 +100,7 @@ static void list_trn(char *fn)
          }
          for(i=5*j; (i<5*j+5); i++) {
            rvec_dec(x[i],xcm[j]);
-           oprod(x[i],f[i],dx);
+           cprod(x[i],f[i],dx);
            rvec_inc(torque[j],dx);
            rvec_inc(x[i],xcm[j]);
          }
@@ -136,9 +137,9 @@ static void list_trn(char *fn)
 int main(int argc,char *argv[])
 {
   static char *desc[] = {
-    "gmxdump reads a run input file ([TT].tpa[tt]/[TT].tpr[tt]/[TT].tpb[tt]),",
-    "a trajectory ([TT].trj[tt]/[TT].trr[tt]/[TT].xtc[tt]) or an energy",
-    "file ([TT].ene[tt]/[TT].edr[tt]) and prints that to standard",
+    "[TT]gmxdump[tt] reads a run input file ([TT].tpr[tt]),",
+    "a trajectory ([TT].trr[tt]/[TT].xtc[tt]) or an energy",
+    "file ([TT].edr[tt]) and prints that to standard",
     "output in a readable format. This program is essential for",
     "checking your run input file in case of problems.[PAR]"
   };
@@ -160,7 +161,7 @@ int main(int argc,char *argv[])
     list_trn(fn);
   }
   
-  thanx(stderr);
+  gmx_thanx(stderr);
 
   return 0;
 }