[gmx-users] how to create a proper box size for a membrane?

[Ricardo O. S. Soares]

Hello dear users,

I'm familiar with solvated protein simulations for quite a while now. Recently I'm beginning to study some membrane systems.
I have created a POPC membrane and now I need to make a proper box. Using editconf, the box is always larger than the membrane's x and y  coordinates, even controlling the -d option.
I could measure the membrane and set the box values manually, but that doesn't seem to me to be a safe approach.

I read Justin Lemkul's tutorial on membranes, and I see that there were already a box in the downloaded file, so I couldn't figure something out from there yet.

Thanks






 


---
 Ricardo O. S. Soares , PhD Student.
Group of Biological Physics - Department of Physics & Chemistry
Faculty of Pharmaceutical Sciences at Ribeirão Preto - University of São Paulo.
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