[gmx-users] Protein-POPC bilayer

Shima Arasteh shima_arasteh2001 at yahoo.com
Fri Aug 17 01:26:38 CEST 2012


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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