| 44 |  | printf("      --order=INT               Lengendre Polynomial Order\n"); | 
| 45 |  | printf("\n"); | 
| 46 |  | printf(" Group: dynamicProps  an option of this group is required\n"); | 
| 47 | < | printf("  -r, --rcorr                   rmsd\n"); | 
| 47 | > | printf("  -m, --rmsd                    rmsd\n"); | 
| 48 | > | printf("  -r, --rcorr                   position correlation function\n"); | 
| 49 |  | printf("  -v, --vcorr                   velocity correlation function\n"); | 
| 50 |  | printf("  -d, --dcorr                   dipole correlation function\n"); | 
| 51 |  | printf("  -l, --lcorr                   Lengendre correlation function\n"); | 
| 81 |  | args_info->sele1_given = 0 ; | 
| 82 |  | args_info->sele2_given = 0 ; | 
| 83 |  | args_info->order_given = 0 ; | 
| 84 | + | args_info->rmsd_given = 0 ; | 
| 85 |  | args_info->rcorr_given = 0 ; | 
| 86 |  | args_info->vcorr_given = 0 ; | 
| 87 |  | args_info->dcorr_given = 0 ; | 
| 113 |  | { "sele1",      1, NULL, 0 }, | 
| 114 |  | { "sele2",      1, NULL, 0 }, | 
| 115 |  | { "order",      1, NULL, 0 }, | 
| 116 | + | { "rmsd",       0, NULL, 'm' }, | 
| 117 |  | { "rcorr",      0, NULL, 'r' }, | 
| 118 |  | { "vcorr",      0, NULL, 'v' }, | 
| 119 |  | { "dcorr",      0, NULL, 'd' }, | 
| 122 |  | }; | 
| 123 |  |  | 
| 124 |  | stop_char = 0; | 
| 125 | < | c = getopt_long (argc, argv, "hVi:o:rvdl", long_options, &option_index); | 
| 125 | > | c = getopt_long (argc, argv, "hVi:o:mrvdl", long_options, &option_index); | 
| 126 |  |  | 
| 127 |  | if (c == -1) break;       /* Exit from `while (1)' loop.  */ | 
| 128 |  |  | 
| 160 |  | args_info->output_arg = gengetopt_strdup (optarg); | 
| 161 |  | break; | 
| 162 |  |  | 
| 163 | < | case 'r':       /* rmsd.  */ | 
| 163 | > | case 'm':       /* rmsd.  */ | 
| 164 | > | if (args_info->rmsd_given) | 
| 165 | > | { | 
| 166 | > | fprintf (stderr, "%s: `--rmsd' (`-m') option given more than once\n", CMDLINE_PARSER_PACKAGE); | 
| 167 | > | clear_args (); | 
| 168 | > | exit (EXIT_FAILURE); | 
| 169 | > | } | 
| 170 | > | args_info->rmsd_given = 1; | 
| 171 | > | dynamicProps_group_counter += 1; | 
| 172 | > | break; | 
| 173 | > |  | 
| 174 | > | case 'r':       /* position correlation function.  */ | 
| 175 |  | if (args_info->rcorr_given) | 
| 176 |  | { | 
| 177 |  | fprintf (stderr, "%s: `--rcorr' (`-r') option given more than once\n", CMDLINE_PARSER_PACKAGE); |