version 1.35 | version 1.36 |
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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 |
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*/ | */ |
double x, y, z; | double x, y, z; |
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| PSFGEN_TEST_MOL(interp, psf); |
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/* | /* |
psfset <attribute keyword> <segid> <resid> [<atomname>] <new value> | psfset <attribute keyword> <segid> <resid> [<atomname>] <new value> |
*/ | */ |