[gmx-developers] xdrfile_write_compr_coord_float()

Kaihsu Tai kaihsu.tai at bioch.ox.ac.uk
Wed Feb 8 00:20:58 CET 2006

Hello All -- The reason for this is because I did not
assign a value to the precision.  Using
  float prec = 1000.0;
seems to work now.  Thanks to David van der Spoel and Oliver
Beckstein for helping.  Cheers.

Kaihsu Tai, 2006-02-07 19:48:39+0000:
> Using the interface Erik provided earlier (xdrfile.c and xdrfile.h in
> "http://www.gromacs.org/pipermail/gmx-developers/2003-October/000665.html"),
> I am trying to write some xtc files.  Everything seems to
> work with my driver (attached, xtcExport.c) except that the
> coordinates are all replaced by 0.000000.  I think I am
> calling the function xdrfile_write_compr_coord_float() in an
> incorrect way, but need some help in rectifying this.
> I have so far tried using either
> xdrfile_write_compr_coord_float(coords, nAtoms, prec, xtcFile);
> or
> xdrfile_write_compr_coord_float(&coords, nAtoms, prec, xtcFile);
> but neither worked.  It must be painfully/embarrassingly
> obvious ... but any ideas on how to fix this, please?

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