*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2015,2016, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017, 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.
double sdip, sdip2, sinp, sdinp, nmol;
int *hist;
t_pbc pbc;
- gmx_rmpbc_t gpbc = NULL;
+ gmx_rmpbc_t gpbc = nullptr;
const char *desc[] = {
};
t_filenm fnm[] = {
- { efTRX, NULL, NULL, ffREAD },
- { efTPR, NULL, NULL, ffREAD },
- { efNDX, NULL, NULL, ffOPTRD },
- { efXVG, NULL, "scdist", ffWRITE }
+ { efTRX, nullptr, nullptr, ffREAD },
+ { efTPR, nullptr, nullptr, ffREAD },
+ { efNDX, nullptr, nullptr, ffOPTRD },
+ { efXVG, nullptr, "scdist", ffWRITE }
};
#define NFILE asize(fnm)
if (!parse_common_args(&argc, argv, PCA_CAN_TIME | PCA_CAN_VIEW,
- NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, NULL, &oenv))
+ NFILE, fnm, asize(pa), pa, asize(desc), desc, 0, nullptr, &oenv))
{
return 0;
}
gmx::MDModules mdModules;
ir = mdModules.inputrec();
read_tpx_top(ftp2fn(efTPR, NFILE, fnm),
- ir, box, &natoms, NULL, NULL, top);
+ ir, box, &natoms, nullptr, nullptr, top);
/* get index groups */
printf("Select a group of reference particles and a solvent group:\n");
}
xvgrclose(fp);
- do_view(oenv, opt2fn("-o", NFILE, fnm), NULL);
+ do_view(oenv, opt2fn("-o", NFILE, fnm), nullptr);
return 0;
}