As noted in the original document, it is designed to be compatible with
Amber bio-molecule force field. I tried once to convert the atom typing
file to .DEF but did not go very far. (I guess I don't understand the .DEF
format very well). Anyone know if there is any program can read the PATTY
atom typing language?
Thanks
Cen
On Wed, Feb 8, 2012 at 10:30 AM, Guanglei Cui
<amber.mail.archive.gmail.com>wrote:
> Thanks for pointing this out. MOE comes with the ff definition file,
> which may be translated into an antechamber ATD DEF file. but it
> should probably be done by the experts.
>
> Interestingly, the MOE Frosst definition file also includes parm10
> parameter set. I presume the combination has been tested?
>
> On Tue, Feb 7, 2012 at 7:57 PM, David A. Case <case.biomaps.rutgers.edu>
> wrote:
> >
> > Thanks for the info. One neat thing to do would be to see if one could
> create
> > an ATOMTYPE.PARMFROSST.DEF file that would allow antechamber to
> automagically
> > assign parm.Frosst atom types. Then one could just use the frcmod files
> > from parm.Frosst, and you should be set to go.
> >
> > There is still the question of how to avoid conflicts with Amber atom
> types
> > used for proteins. We probably need advice from the Merck-Frosst people
> here,
> > but some global namespace change may be needed. It doesn't sound like
> that is
> > all that difficult.
> >
> > ...dac
> >
> >
> > _______________________________________________
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> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> Guanglei Cui
>
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>
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Received on Wed Feb 08 2012 - 19:30:03 PST
