Hi Jan,
No I do not think it would he wrong to use FF99SB potential. I think the term force field is a historical one that probably derives from the fact that it is the derivative of the potential (i.e. The force) that is actually used in MD simulations rather than the potential.
People typically write the AMBER equation in publications in terms of the energy but in reality what they are actually calculating in each time step is the force.
All the best
Ross
On Nov 14, 2011, at 11:15, Jan-Philip Gehrcke <jgehrcke.googlemail.com> wrote:
> Hey,
>
> for the short time I am dealing with MD, I am wondering why the term
> "force field" was established and is so much more common than
> "potential". In my eyes, we are dealing with parameters for potential
> functions. Would it be weird or even wrong to use the term "Amber 99 SB
> potential" in a publication?
>
> Thanks for clarification,
>
> Jan-Philip
>
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Received on Mon Nov 14 2011 - 11:30:05 PST
