(*rmsd)=-1;
(*nres)=0;
- mpoutput=ffopen (fn,"r");
+ mpoutput=gmx_ffopen (fn,"r");
if (bCountres) {
do {
(*nres) = atoi(string);
}
}
- ffclose(mpoutput);
+ gmx_ffclose(mpoutput);
}
int main(int argc,char *argv[])
}
}
else {
- ffclose(tmpf);
+ gmx_ffclose(tmpf);
}
if (ftp != efPDB) {
useatoms.nres=max(useatoms.nres,useatoms.atom[i].resind+1);
}
useatoms.nr=nout;
- out=ffopen(TrjoutFile,filemode);
+ out=gmx_ffopen(TrjoutFile,filemode);
break;
}
if (outftp == efG87)
do {
t = output_env_conv_time(oenv,fr.time);
gmx_rmpbc(gpbc,natoms,fr.box,fr.x);
- tapein=ffopen(pdbfile,"w");
+ tapein=gmx_ffopen(pdbfile,"w");
write_pdbfile_indexed(tapein,NULL,atoms,fr.x,ePBC,fr.box,' ',-1,gnx,index,NULL,TRUE);
- ffclose(tapein);
+ gmx_ffclose(tapein);
system(multiprot);
remove(pdbfile);
process_multiprot_output(fn, &rmsd, &nres2,rotangles,translation,bCountres,countres);
for (i=0;i<ratoms.nres;i++) {
fprintf(fres,"%10d %12d\n",countres[i].resnr,countres[i].count);
}
- ffclose(fres);
+ gmx_ffclose(fres);
}
- ffclose(fo);
- ffclose(frc);
+ gmx_ffclose(fo);
+ gmx_ffclose(frc);
fprintf(stderr,"\n");
close_trj(status);
if (trxout != NULL) {
close_trx(trxout);
}
else if (out != NULL) {
- ffclose(out);
+ gmx_ffclose(out);
}
view_all(oenv,NFILE, fnm);
sfree(xr);