[gmx-users] membrane protein-free energy

[Justin A. Lemkul]

Poojari, Chetan wrote:
> Hi,
> 
> I have done MD simulations of membrane-protein. I want to calculate
> interaction energies between protein and headgroup, protein and hydrophobic
> core (in the bilayer). Please can anyone suggest me the method that should be
> followed to carry out these analysis.
> 

Please read in the manual (and list archive for that matter) about energygrps.

-Justin

> 
> kind regards and best wishes, chetan
> 
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-- 
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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

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