init_t_atoms(&(pdbf->atoms), natoms, FALSE);
snew(pdbf->x, natoms);
read_stx_conf(fn, buf, &pdbf->atoms, pdbf->x, NULL, &pdbf->ePBC, pdbf->box);
- fp = ffopen(fn, "r");
+ fp = gmx_ffopen(fn, "r");
do
{
ptr = fgets2(buf, 255, fp);
}
}
while (ptr != NULL);
- ffclose(fp);
+ gmx_ffclose(fp);
return pdbf;
}
{
fprintf(fp, "%12lf\n", bFreeSort ? pdbf[i]->efree : pdbf[i]->edocked);
}
- ffclose(fp);
+ gmx_ffclose(fp);
}
}
return 0;
}
- fp = ffopen(opt2fn("-g", NFILE, fnm), "w");
+ fp = gmx_ffopen(opt2fn("-g", NFILE, fnm), "w");
please_cite(stdout, "Hetenyi2002b");
please_cite(fp, "Hetenyi2002b");
cluster_em_all(fp, npdbf, pdbf, bFree, bRMS, cutoff);
gmx_thanx(fp);
- ffclose(fp);
+ gmx_ffclose(fp);
return 0;
}