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

From: ABEL Stephane 175950 <Stephane.ABEL.cea.fr>
Date: Thu, 11 Oct 2012 11:36:44 +0000

OK thank you

Stephane
________________________________________
De : Carlos Simmerling [carlos.simmerling.gmail.com]
Date d'envoi : jeudi 11 octobre 2012 13:28
: AMBER Mailing List
Objet : Re: [AMBER] RE : Reference for the AMBER12SB force field

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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> >
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Received on Thu Oct 11 2012 - 05:00:03 PDT
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