[gmx-users] Gibbs free energy of binding

Justin A. Lemkul jalemkul at vt.edu
Tue Oct 19 13:26:22 CEST 2010

shahab shariati wrote:
> Hi gromacs users
> Can I use gromacs for obtaining Gibbs free energy of binding of protein 
> and dna?

Yes.  I would suggest you read about potential of mean force calculations.



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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