[gmx-users] Using AMBER FF with GROMACS

Justin Lemkul jalemkul at vt.edu
Wed Feb 6 12:55:17 CET 2013



On 2/6/13 6:48 AM, George Patargias wrote:
> 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.
>

We have used several Amber force fields for diverse systems and have never had 
any problems.

-Justin

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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