if (outftp == efPDB)
{
- out = ffopen(outfile, "w");
+ out = gmx_ffopen(outfile, "w");
write_pdbfile_indexed(out, title, &atoms, x, ePBC, box, ' ', 1, isize, index, conect, TRUE);
- ffclose(out);
+ gmx_ffclose(out);
}
else
{
if ((outftp == efPDB) || (outftp == efPQR))
{
- out = ffopen(outfile, "w");
+ out = gmx_ffopen(outfile, "w");
if (bMead)
{
set_pdb_wide_format(TRUE);
visualize_box(out, bLegend ? atoms.nr+12 : atoms.nr,
bLegend ? atoms.nres = 12 : atoms.nres, box, visbox);
}
- ffclose(out);
+ gmx_ffclose(out);
}
else
{