[gmx-developers] Re: Editing the GROMACS energy function

[Mark Abraham]

On 31/08/2012 10:13 PM, alex.bjorling wrote:
> I'm now in the exact same position as Radhakrishna describes here. After
> posting the following, I did some more research and now have ways to get
> both energy and force from a complicated operation over all coordinates.
>
> http://gromacs.5086.n6.nabble.com/Adding-an-artificial-energy-term-for-structure-refinement-tp5000240.html
>
> Has anyone been successful in making these modifications?

I don't understand what you are asking.

Mark