[gmx-users] Using AMBER FF with GROMACS
gmx3 at hotmail.com
Wed Feb 6 13:15:32 CET 2013
All AMBER force fields in Gromacs which are also available in AMBER have been validated against energies from the AMBER package.
> 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
> 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
> 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
> Office: +302106597568
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