*
* 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.
#include "gromacs/commandline/pargs.h"
#include "gromacs/fileio/confio.h"
-#include "gromacs/fileio/tpxio.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/fileio/xvgr.h"
#include "gromacs/gmxana/gmx_ana.h"
}
fprintf(out, "\n");
}
- gmx_ffclose(out);
+ xvgrclose(out);
}
/* called from corr_loop, to do the main calculations */
}
}
}
- gmx_ffclose(out);
+ xvgrclose(out);
do_view(oenv, fn, "-graphtype bar");
/* Compute variance, stddev and error */
"Note that this diffusion coefficient and error estimate are only",
"accurate when the MSD is completely linear between",
"[TT]-beginfit[tt] and [TT]-endfit[tt].[PAR]",
- "Option [TT]-pdb[tt] writes a [TT].pdb[tt] file with the coordinates of the frame",
+ "Option [TT]-pdb[tt] writes a [REF].pdb[ref] file with the coordinates of the frame",
"at time [TT]-tpdb[tt] with in the B-factor field the square root of",
"the diffusion coefficient of the molecule.",
"This option implies option [TT]-mol[tt]."