While running VEDA4 for calculating PED assignments, I noticed some inconsistencies in the workflow depending on the molecular state or type. In certain cases—particularly for neutral molecules—the option "DD2 by ADM" appears, and upon using it, the process directly generates a .vdf file after completing the analysis. In this pathway, there is no initial "Calculate" button; the output is automatically produced following the DD2 by ADM steps.

However, in other cases—such as different molecules or charged states—the "DD2 by ADM" option does not appear. Instead, the interface shows a direct "Calculate" button right away. This route results in a .vd file, which differs from the .vdf file in both content and detail. The .vdf file typically contains complete PED information, while the .vd file lacks full PED assignment and appears more limited in scope.

This variation suggests that the availability of the DD2 by ADM path and the type of output file depend on the molecule’s charge, structure, or possibly the completeness of the frequency calculation data.

is there any possible way to fix this or is there any solution to it?