From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Tue Jul 09 2013 - 16:02:24 CDT

Depends on the size of the system. For small molecules (4-6 heavy
atoms), my machine works through the all gaussian calculations in an
hour or two, but for larger-but-still-feasible molecules (14 ish heavy
atoms), going through all the water interaction calculations is an
overnight operation. Dihedral scans tend to be substantially slower, as
the recommended level of theory is more involved.
-Josh

On 07/09/2013 02:59 PM, Peterson J wrote:
> Hi all,
>
> How long does a "generating water interaction data" take on a usual
> machine (4 proc and 4GB) in ffTK parameterization process?
>
> Thanks
>
> Peterson