[gmx-users] how to create a proper box size for a membrane?
Ricardo O. S. Soares
ross_usp at yahoo.com.br
Thu Feb 16 17:44:09 CET 2012
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.
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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