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

[alex.bjorling]

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?

Best,
Alex



--
View this message in context: http://gromacs.5086.n6.nabble.com/Editing-the-GROMACS-energy-function-tp4669473p5000716.html
Sent from the GROMACS Developers Forum mailing list archive at Nabble.com.