[gmx-users] Using AMBER FF with GROMACS

[Berk Hess]

Hi,

All AMBER force fields in Gromacs which are also available in AMBER have been validated against energies from the AMBER package.

Cheers,

Berk

----------------------------------------
> Date: Wed, 6 Feb 2013 13:48:13 +0200
> From: gpat at bioacademy.gr
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Using AMBER FF with GROMACS
>
> Hello
>
> Apologies if this topic has been already discussed; I didn't manage to
> find something relevant on the list.
>
> How safe is to use the AMBER FF with GROMACS? I am aware of the validation
> for the ffamber ports here
>
> http://ffamber.cnsm.csulb.edu/#validation
>
> and here
>
> Sorin & Pande (2005), Biophysical Journal, 88, 2472-2493.
>
> The new GROMACS distributions have integrated the ffamber ports and there
> are quite a few papers where GROMACS is used in conjunction with AMBER FF.
>
> I just wanted to double-check.
>
> Many thanks in advance.
>
>
> Dr. George Patargias
> Postdoctoral Researcher
> Biomedical Research Foundation
> Academy of Athens
> 4, Soranou Ephessiou
> 115 27
> Athens
> Greece
>
> Office: +302106597568
>
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