On Sat, Mar 14, 2015 at 11:04 AM, Pedro Swagger <pedrito.swagger.gmail.com>
wrote:
> Thanks dor your reply.
>
> I still want to use the ff03.r1 I was wondering which glycam version FF is
> recommended for it?
>
Based on the link that Lachele sent you; none of them.
Note that ff03 has a completely different charge derivation scheme compared
to the 'standard' Amber force fields (ff94, ff99, ff99SB, ff12SB, and
ff14SB), so parameters are generally not transferrable between those two
families of force fields (especially the torsions). There might also be
atom type-based conflicts... I'm just not sure (and I don't know if anybody
has rigorously checked that).
So unless somebody knows of a study that I'm unfamiliar with that you can
cite for justification, you will have to either switch to ff12SB or figure
out how to make one of the GLYCAM force fields compatible with ff03 *and*
validate it somehow.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sat Mar 14 2015 - 09:00:02 PDT
