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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