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

Mark Abraham Mark.Abraham at anu.edu.au
Fri Aug 31 16:56:57 CEST 2012

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.


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