static void check_viol(FILE *log, t_commrec *cr,
t_ilist *disres, t_iparams forceparams[],
- t_functype functype[], rvec x[], rvec f[],
+ rvec x[], rvec f[],
t_forcerec *fr, t_pbc *pbc, t_graph *g, t_dr_result dr[],
int clust_id, int isize, atom_id index[], real vvindex[],
t_fcdata *fcd)
my_clust = clust->inv_clust[j];
range_check(my_clust, 0, clust->clust->nr);
check_viol(fplog, cr, &(top->idef.il[F_DISRES]),
- top->idef.iparams, top->idef.functype,
+ top->idef.iparams,
x, f, fr, pbc_null, g, dr_clust, my_clust, isize, index, vvindex, &fcd);
}
else
{
check_viol(fplog, cr, &(top->idef.il[F_DISRES]),
- top->idef.iparams, top->idef.functype,
+ top->idef.iparams,
x, f, fr, pbc_null, g, &dr, 0, isize, index, vvindex, &fcd);
}
if (bPDB)