Hi all.
I would like to know if there is any reference about amber
parametrization for "fluoromolecules" with more than a single carbon,
as the ones I've found in the original fluorine parameters paper.
I'm having some problems in parametrizing those, since variations in
the calculated NMAs much stronger than common are seens, making it
pretty difficult to reach acceptable force constants.
Any help would be very welcome.
Thanks a lot in advance,
Jones
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Received on Sun Oct 29 2006 - 06:07:23 PST
