gmx_bool bHisto, const char *fn_histo, int maxchi,
real **dih, int nlist, t_dlist dlist[],
int nframes, int nangles, const char *grpname,
- int xity[], real t0, real dt, gmx_bool bRb,
+ int multiplicity[], real t0, real dt, gmx_bool bRb,
real core_frac, const output_env_t oenv);
- /* as above but passes dlist so can copy occupancies into it, and xity[]
+ /* as above but passes dlist so can copy occupancies into it, and multiplicity[]
* (1..nangles, corresp to dih[this][], so can have non-3 multiplicity of
* rotamers. Also production of xvg output files is conditional
* and the fractional width of each rotamer can be set ie for a 3 fold
void mk_chi_lookup (int **lookup, int maxchi, real **dih,
int nlist, t_dlist dlist[]) ;
-void mk_multiplicity_lookup (int *xity, int maxchi, real **dih,
+void mk_multiplicity_lookup (int *multiplicity, int maxchi, real **dih,
int nlist, t_dlist dlist[],int nangle) ;
void get_chi_product_traj (real **dih,int nframes,int nangles,
int nlist,int maxchi, t_dlist dlist[],
- real time[], int **lookup,int *xity,
+ real time[], int **lookup,int *multiplicity,
gmx_bool bRb,gmx_bool bNormalize,
real core_frac,gmx_bool bAll,const char *fnall,
const output_env_t oenv);