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57 real emat,minrms,maxrms,sumrms;
62 /* The matrix is indexed using the matrix index */
63 #define EROW(m,i) m->erow[i]
65 extern t_mat *init_mat(int n1,gmx_bool b1D);
67 extern void enlarge_mat(t_mat *m,int deltan);
69 extern void reset_index(t_mat *m);
71 extern void swap_rows(t_mat *m,int isw,int jsw);
73 extern void set_mat_entry(t_mat *m,int i,int j,real val);
75 extern void done_mat(t_mat **m);
77 extern real row_energy(int n1,int row,real *mat);
79 extern real mat_energy(t_mat *mat);
81 extern void swap_mat(t_mat *m);
83 extern void low_rmsd_dist(const char *fn,real maxrms,int nn,real **mat,
84 const output_env_t oenv);
86 extern void rmsd_distribution(const char *fn,t_mat *m,const output_env_t oenv);
88 extern t_clustid *new_clustid(int n1);