[gmx-users] excluding electrostatic interactions

[Justin A. Lemkul]

Sikandar Mashayak wrote:
> Hi
> 
> I want to compute only the non-bonded ( LJ + EL) interactions between 
> Protein and Solvent and exclude non-bonded interactions between Protein 
> Protein & SOL SOL. 
> 
> But energy exclusion group does not necessarily exclude the non-bonded 
> electrostatic interactions while using PME option for coulombtype. 
> 
> So I am just wondering if I were to compute electrostatic interactions 
> between just Protein SOL with PME, how can I do that?
> 

Hasn't this already been answered?

http://lists.gromacs.org/pipermail/gmx-users/2011-April/060594.html

-Justin

> thanks
> sikandar
> 
> 

-- 
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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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