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

Justin Lemkul jalemkul at vt.edu
Wed May 8 18:46:23 CEST 2013

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 A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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