| 316 |
|
} |
| 317 |
|
} else if (strcasecmp(tag,"restrained_atoms") == 0) |
| 318 |
|
{ |
| 319 |
< |
tab = tabulator_new_from_file_using_header(rfile,"ATOM1 MAX F_CONST X Y Z",0); |
| 319 |
> |
tab = tabulator_new_from_file_using_header(rfile,"ATOM MAX F_CONST X Y Z",0); |
| 320 |
|
if (tab) |
| 321 |
|
{ |
| 322 |
|
n_row = tabulator_height(tab); |
| 345 |
|
} |
| 346 |
|
if (strlen(tab[i][5]) > 0) // y postion |
| 347 |
|
{ |
| 348 |
< |
xtmp = atof(tab[i][3]); |
| 348 |
> |
xtmp = atof(tab[i][5]); |
| 349 |
|
restrain_atom.restrain_position[restrain_atom.natom_restrain][2] = xtmp; |
| 350 |
|
} |
| 351 |
|
restrain_atom.natom_restrain++; |
