| version 1.35 | version 1.36 |
|---|
| |
| int argc, CONST84 char *argv[]) { | int argc, CONST84 char *argv[]) { |
| topo_mol_ident_t target; | topo_mol_ident_t target; |
| psfgen_data *psf = *(psfgen_data **)data; | psfgen_data *psf = *(psfgen_data **)data; |
| PSFGEN_TEST_MOL(interp, psf); | |
| char *segid, *resid, *aname; | char *segid, *resid, *aname; |
| int rc; | int rc; |
| /* We will horribly abuse notation here and use these for any vector quantity | /* We will horribly abuse notation here and use these for any vector quantity |
| |
| */ | */ |
| double x, y, z; | double x, y, z; |
| | |
| | PSFGEN_TEST_MOL(interp, psf); |
| | |
| /* | /* |
| psfset <attribute keyword> <segid> <resid> [<atomname>] <new value> | psfset <attribute keyword> <segid> <resid> [<atomname>] <new value> |
| */ | */ |