 |
Open...
Open an existing ADFinput file or PDB file (with .adf or .pdb extension).
When you open a .adf file, and a matching and newer .t21 is found that contains changed coordinates,
ADFinput will ask you if you wish to update the coordinates in the .adf file to match the .t21 file.
You can use this, for example, to update your geometry after running a geometry optimization.
Note that the .t21 might just contain the same molecule but reoriented to obey the symmetry requirements
of ADF.
|