They look pretty similar, I don't think it'll make that big of a deal.
The first one is a calculated value, whereas the second one is the
value from the gaff database, so I'd personally probably use the
second, but others may have different opinions.
Good luck!
Jason
On Wed, Feb 3, 2010 at 12:12 PM, Sidney Elmer <paulymer.gmail.com> wrote:
> Hi,
>
> I used parmchk to generate a frcmod file, and it output two entries for the
> same parameter:
>
> ------- snip --------
> c -cc-ne 65.257 121.360 Calculated with empirical approach
> c -cc-ne 68.400 120.890 same as c -cc-n2
> ------- snip --------
>
> Is one better than the other? Thanks.
>
> Sid
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--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Wed Feb 03 2010 - 10:30:04 PST
