Move read_tps_conf() to confio.h

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

diff --git a/src/gromacs/gmxana/gmx_current.c b/src/gromacs/gmxana/gmx_current.c
index e27cf05233ae6e631a3a8f446de276a20f4295f3..107d87223055f1bb335e96f62d8c06d7623d18bc 100644 (file)
--- a/src/gromacs/gmxana/gmx_current.c
+++ b/src/gromacs/gmxana/gmx_current.c
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2008,2009,2010,2011,2012,2013,2014, by the GROMACS development team, led by
+ * Copyright (c) 2008,2009,2010,2011,2012,2013,2014,2015, 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.
@@ -38,7 +38,7 @@
 #include <stdlib.h>
 
 #include "gromacs/commandline/pargs.h"
-#include "gromacs/fileio/tpxio.h"
+#include "gromacs/fileio/confio.h"
 #include "gromacs/fileio/trxio.h"
 #include "gromacs/fileio/xvgr.h"
 #include "gromacs/gmxana/gmx_ana.h"
@@ -50,6 +50,7 @@
 #include "gromacs/pbcutil/rmpbc.h"
 #include "gromacs/statistics/statistics.h"
 #include "gromacs/topology/index.h"
+#include "gromacs/utility/cstringutil.h"
 #include "gromacs/utility/fatalerror.h"
 #include "gromacs/utility/smalloc.h"
 
@@ -890,7 +891,7 @@ int gmx_current(int argc, char *argv[])
         "Option [TT]-temp[tt] sets the temperature required for the computation of the static dielectric constant.",
         "[PAR]",
         "Option [TT]-eps[tt] controls the dielectric constant of the surrounding medium for simulations using",
-        "a Reaction Field or dipole corrections of the Ewald summation ([TT]-eps[tt]=0 corresponds to",
+        "a Reaction Field or dipole corrections of the Ewald summation ([TT]-eps[tt]\\=0 corresponds to",
         "tin-foil boundary conditions).",
         "[PAR]",
         "[TT]-[no]nojump[tt] unfolds the coordinates to allow free diffusion. This is required to get a continuous",
@@ -992,16 +993,20 @@ int gmx_current(int argc, char *argv[])
                temp, trust, bfit, efit, bvit, evit, status, isize, nmols, nshift,
                index0, indexm, mass2, qmol, eps_rf, oenv);
 
-    gmx_ffclose(fmj);
-    gmx_ffclose(fmd);
-    gmx_ffclose(fmjdsp);
-    if (bACF)
-    {
-        gmx_ffclose(outf);
-    }
-    if (bINT)
+    xvgrclose(fmj);
+    xvgrclose(fmd);
+    xvgrclose(fmjdsp);
+    if (fr.bV)
     {
-        gmx_ffclose(mcor);
+        if (bACF)
+        {
+            xvgrclose(outf);
+        }
+        xvgrclose(fcur);
+        if (bINT)
+        {
+            xvgrclose(mcor);
+        }
     }
 
     return 0;