*
* 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.
ak = index[i+2];
al = index[i+3];
phi = RAD2DEG*
- dih_angle(x[ai], x[aj], x[ak], x[al], NULL,
+ dih_angle(x[ai], x[aj], x[ak], x[al], nullptr,
r_ij, r_kj, r_kl, m, n,
&sign, &t1, &t2, &t3);
phitot += phi;
}
bb[i].phi = RAD2DEG*
- dih_angle(x[bb[i].Cprev], x[bb[i].N], x[bb[i].CA], x[bb[i].C], NULL,
+ dih_angle(x[bb[i].Cprev], x[bb[i].N], x[bb[i].CA], x[bb[i].C], nullptr,
r_ij, r_kj, r_kl, m, n,
&sign, &t1, &t2, &t3);
bb[i].psi = RAD2DEG*
- dih_angle(x[bb[i].N], x[bb[i].CA], x[bb[i].C], x[bb[i].Nnext], NULL,
+ dih_angle(x[bb[i].N], x[bb[i].CA], x[bb[i].C], x[bb[i].Nnext], nullptr,
r_ij, r_kj, r_kl, m, n,
&sign, &t1, &t2, &t3);
bb[i].pprms2 = gmx::square(bb[i].phi-PHI_AHX)+gmx::square(bb[i].psi-PSI_AHX);