[gmx-users] how to obtain binding energy?

Justin A. Lemkul jalemkul at vt.edu
Tue May 17 17:51:03 CEST 2011

shahab shariati wrote:
> Dear Justin and Mohsen
> Very thanks for your attention
> Justin you said PMF is much easier in my case (protein-dna complex).
> Is there tutorial or example about using PMF method in gromacs to
> obtain free binding energy? If so, please address me.

If the question starts with "Is there a tutorial for..." then the answer is always:


I suspect you'll find something useful there :)



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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