Re: [AMBER] Cofactor parametrization

From: Dr. M. Shahid <mohammad.shahid.gmail.com>
Date: Tue, 3 Mar 2015 12:18:01 +0100

Dear Francois,

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?

Thank you,

Best regards,

--
Shahid.
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 Tue Mar 03 2015 - 03:30:03 PST