This is correct, in ff14sb we retained the same Cornell etc al charge set
for compatibility with ff99sb.
On Mar 3, 2015 7:47 AM, "FyD" <fyd.q4md-forcefieldtools.org> wrote:
> Dear Shahid,
>
> > Are the ff libraries in these F-90/91 REDDB projects compatible with the
> > new FF ff14SB? Or one has to use the old ff99SB?
>
> F-90: for the Cornell et al. FF & its successive adaptations -> this
> is written in the abstract
> F-91: for the Duan et al. FF -> this is written in the abstract
>
> My understanding is that all these Stony-Brook FF FF99SB, FF12SB,
> FF14SB ... FF99SB ;-) are based on the Cornell et al. FF.
>
> I just checked in the Amber manual 14 page 29:
>
> 3.1. Specifying which force field you want in LEaP
>
> File name Original Charge Scheme
> leaprc.ff14SB Cornell et al., 1994
>
> regards, Francois
>
>
> > On Tue, Mar 3, 2015 at 10:18 AM, FyD <fyd.q4md-forcefieldtools.org>
> wrote:
> >
> >> Dear Francesca,
> >>
> >> You might be interested in the F-90 REDDB project:
> >> http://q4md-forcefieldtools.org/REDDB/projects/F-90/
> >> http://q4md-forcefieldtools.org/REDDB/projects/F-90/script1.ff
> >>
> >> NADP+ (and far more) is included...
> >>
> >> regards, Francois
> >>
> >>
> >> > I am running MD of a protein with NADP+ as cofactor.
> >> >
> >> > I have some troubles with the cofactor parametrization:
> >> > antechamber is not recognizing the charge of my mol2 file and as
> >> > well pdb file.
> >> > So I decided to dowload the prep and frcmod files from Amber
> >> > parameter database
> >> > but I don't know how to integrate them with my mol2 or pdb file.
>
>
>
>
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Received on Thu Mar 05 2015 - 05:30:09 PST
