[gmx-users] mdp-settings for charmm36 and lipid apl values

[Justin Lemkul]

On 5/8/13 12:44 PM, Gmx QA wrote:
> Thanks Justin, those are good points.
>
> A quick follow up, would you (or someone else) consider the APL-values I
> have for my mixed bilayer system to be good, just ok-ish or plain wrong?
>

I have no basis for making such an assessment, but I know there is literature 
available for 1:1 POPC/POPE membranes that you should look into.  If you want to 
assess accuracy, you need to be working with a well-described system to 
reproduce or one that has experimental information available that you are trying 
to model.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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