Re: [AMBER] RE : Reference for the AMBER12SB force field

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Thu, 11 Oct 2012 07:28:58 -0400

the backbone was changed slightly to improve agreement with NMR, and all of
the side chain dihedrals were updated to better fit QM.


On Mon, Oct 8, 2012 at 8:05 AM, ABEL Stephane 175950
<Stephane.ABEL.cea.fr>wrote:

> Thanks Carlos,
>
> Can you give me some comments about what did modify or add in AMBER12SB
> compared to the latest Amber ff for proteins
>
> Stephane
> ________________________________________
> De : Carlos Simmerling [carlos.simmerling.gmail.com]
> Date d'envoi : lundi 8 octobre 2012 13:57
> : AMBER Mailing List
> Objet : Re: [AMBER] Reference for the AMBER12SB force field
>
> there is not an article yet, we are still preparing it.
>
>
> On Mon, Oct 8, 2012 at 7:13 AM, ABEL Stephane 175950
> <Stephane.ABEL.cea.fr>wrote:
>
> > Hi everybody,
> >
> > For a future project, I would like to use the AMBER12SB force field to
> > simulate a protein complex.Is there a article where this force field is
> > described ?
> >
> > Thank you in advance
> >
> > Stephane
> >
> >
> >
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Received on Thu Oct 11 2012 - 04:30:03 PDT
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