[gmx-users] energy

Mark Abraham mark.abraham at anu.edu.au
Wed Jan 10 10:19:23 CET 2007

> Dear all
> how can I calculate interaction energy in complex with
> gromacs

Start by writing down an algebraic expression for what you want to
calculate in terms of things you might be able to compute with an MD
simulation. If you can do that, then please ask a focussed question.
Otherwise you sound like you want me to do your work for you :-)


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