[gmx-users] how to obtain binding energy?

[Justin A. Lemkul]

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:

http://www.gromacs.org/Documentation/Tutorials

I suspect you'll find something useful there :)

-Justin

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================