*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, 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.
(d->sumft[i]-d->sumfct[i])*norm);
}
}
- ffclose(fp);
+ gmx_ffclose(fp);
}
if (!d->bSum && rfn)
{
fprintf(fp, "\n");
}
}
- ffclose(fp);
+ gmx_ffclose(fp);
}
if (fn2 && (d->nstate > 2))
(d->sumit[i]-d->sumict[i])*norm);
}
}
- ffclose(fp);
+ gmx_ffclose(fp);
}
if (mfn)
{
DG = BOLTZ*i*log(fff/(1-fff));
fprintf(fp, "%5d %8.3f %8.3f\n", i, fff, DG);
}
- ffclose(fp);
+ gmx_ffclose(fp);
}
}
}
fprintf(hp, "&\n");
}
- ffclose(hp);
+ gmx_ffclose(hp);
for (i = 0; (i < d->nparams); i++)
{
d->params[i] = params[i];
dfile = opt2fn("-d", NFILE, fnm);
dfile2 = opt2fn_null("-d2", NFILE, fnm);
- fp = ffopen(opt2fn("-g", NFILE, fnm), "w");
+ fp = gmx_ffopen(opt2fn("-g", NFILE, fnm), "w");
remd.temp = read_xvg_time(tfile, bHaveT,
opt2parg_bSet("-b", NPA, pa), tb,
optimize_remd_parameters(&remd, maxiter, tol);
dump_remd_parameters(fp, &remd, "test1.xvg", NULL, NULL, NULL, NULL, skip, tref, oenv);
}
- ffclose(fp);
+ gmx_ffclose(fp);
view_all(oenv, NFILE, fnm);