[gmx-users] Protein-POPC bilayer
Peter C. Lai
pcl at uab.edu
Fri Aug 17 04:32:17 CEST 2012
You always use semi-isotropic for bilayer work. The Z is decoupled from x-y
due to symmetry.
I don't think I mention anything differently in the paper.
Pcoupltype = semiisotropic
On 2012-08-16 04:26:38PM -0700, Shima Arasteh wrote:
> I have a question about the Protein-POPC system:
> To insert a protein in lipid bilayer, I am suggested to simulate POPC in water separately before insertion, it might decrease the time of final simulation. It's OK!
> In the article suggested me by dear Peter C. Lai, I read that POPC was simulated in anisotropic pressure coupling at first and then after insertion of protein, semi-isotropic pressure coupling is applied.
> Now, would you please telling me why you used this procedure?
> Would my system be correct if I use semi-isotropic pressure coupling instead of anisotropic pressure coupling for the first step?
> Thanks in advance for your replies.
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Peter C. Lai | University of Alabama-Birmingham
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