1171 |
|
|
1172 |
|
sprintf( painCave.errMsg, |
1173 |
|
"DUFF error: Atom \"%s\" is a dipole, yet no standard" |
1174 |
< |
" orientation was specifed in the BASS file.\n", |
1174 |
> |
" orientation was specifed in the meta-data file.\n", |
1175 |
|
currentAtomType->name ); |
1176 |
|
painCave.isFatal = 1; |
1177 |
|
simError(); |
1181 |
|
if( the_atoms[i]->isDirectional() ){ |
1182 |
|
sprintf( painCave.errMsg, |
1183 |
|
"DUFF error: Atom \"%s\" was given a standard " |
1184 |
< |
"orientation in the BASS file, yet it is not a dipole.\n", |
1184 |
> |
"orientation in the meta-data file, yet it is not a dipole.\n", |
1185 |
|
currentAtomType->name); |
1186 |
|
painCave.isFatal = 1; |
1187 |
|
simError(); |