Cher Professeur
Merci beaucoup pour votre réponse.
Chloe
Envoyé: vendredi 17 juin 2016 à 12:50
De: "David A Case" <david.case.rutgers.edu>
À: "AMBER Mailing List" <amber.ambermd.org>
Objet: Re: [AMBER] Une demande d'aide avec GAFF ( 2 )
On Fri, Jun 17, 2016, Chloe Renard wrote:
>
> I find the article Gaff , but I can not find the GAFF2 despite it being
> recommended in the manual AMBER16 .
The GAFF2 paper is not yet finished. If that concerns you, you can continue
use the original parameters (now at version 1.8), which is still the
default.
You can also run both GAFF and GAFF2, and see which one seems to work better
for your molecules.
....dac
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Received on Mon Jun 20 2016 - 09:00:02 PDT
