Move read_tps_conf() to confio.h

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

diff --git a/src/gromacs/gmxana/gmx_rmsdist.c b/src/gromacs/gmxana/gmx_rmsdist.c
index ea98add60a3ab047dba946a426f00be662aaaa28..ad79bb2945c448fc1ca38076119adaaa44d01afb 100644 (file)
--- a/src/gromacs/gmxana/gmx_rmsdist.c
+++ b/src/gromacs/gmxana/gmx_rmsdist.c
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -39,9 +39,9 @@
 #include <math.h>
 
 #include "gromacs/commandline/pargs.h"
+#include "gromacs/fileio/confio.h"
 #include "gromacs/fileio/matio.h"
 #include "gromacs/fileio/strdb.h"
-#include "gromacs/fileio/tpxio.h"
 #include "gromacs/fileio/trxio.h"
 #include "gromacs/fileio/xvgr.h"
 #include "gromacs/gmxana/gmx_ana.h"
@@ -52,6 +52,7 @@
 #include "gromacs/math/vec.h"
 #include "gromacs/pbcutil/pbc.h"
 #include "gromacs/topology/index.h"
+#include "gromacs/utility/cstringutil.h"
 #include "gromacs/utility/futil.h"
 #include "gromacs/utility/smalloc.h"
 
@@ -639,7 +640,7 @@ int gmx_rmsdist(int argc, char *argv[])
         "of atom pairs with 1/r^3 and 1/r^6 averaged distance below the",
         "maximum distance ([TT]-max[tt], which will default to 0.6 in this case)",
         "can be generated, by default averaging over equivalent hydrogens",
-        "(all triplets of hydrogens named *[123]). Additionally a list of",
+        "(all triplets of hydrogens named \\*[123]). Additionally a list of",
         "equivalent atoms can be supplied ([TT]-equiv[tt]), each line containing",
         "a set of equivalent atoms specified as residue number and name and",
         "atom name; e.g.:[PAR]",
@@ -798,11 +799,11 @@ int gmx_rmsdist(int argc, char *argv[])
     while (read_next_x(oenv, status, &t, x, box));
     fprintf(stderr, "\n");
 
-    gmx_ffclose(fp);
+    xvgrclose(fp);
 
     close_trj(status);
 
-    calc_rms(isize, teller, dtot, dtot2, mean, &meanmax, rms, &rmsmax, rmsc, &rmscmax);
+    calc_rms(isize, teller, dtot, dtot2, rms, &rmsmax, rmsc, &rmscmax, mean, &meanmax);
     fprintf(stderr, "rmsmax = %g, rmscmax = %g\n", rmsmax, rmscmax);
 
     if (bNMR)