[gmx-users] Using AMBER FF with GROMACS
jalemkul at vt.edu
Wed Feb 6 12:55:17 CET 2013
On 2/6/13 6:48 AM, George Patargias wrote:
> 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.
We have used several Amber force fields for diverse systems and have never had
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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