[gmx-users] a question about energygrps

[Justin A. Lemkul]

On 4/25/12 10:07 AM, Albert wrote:
> Hello:
>
> I am running a membrane simulation with gromacs and I wondering how to deal with
> energygrps? Should I put protein and lipids into one energygrps? Or I should
> leave the lipids stay with solvent and ions?
>

You can divide the system in any way you like for energygrps; it's just a 
decomposition of the nonbonded terms.  The way your break it down depends on 
what you care to measure in the system.

-Justin

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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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