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I can't think of a good way to enforce absolute box size (especially in the z dimension) in membrane systems due to how the protein may be peripheral to the membrane in the Z dimension. So right now it doesn't work at all and will give you a pretty randomly sized system if you dabble with --absolute-z and NOT -M TIP3.
Actually I can think of plenty of good ways to do this. I am just too lazy to do that right now. guh
The text was updated successfully, but these errors were encountered:
I can't think of a good way to enforce absolute box size (especially in the z dimension) in membrane systems due to how the protein may be peripheral to the membrane in the Z dimension. So right now it doesn't work at all and will give you a pretty randomly sized system if you dabble with
--absolute-z
and NOT-M TIP3
.Actually I can think of plenty of good ways to do this. I am just too lazy to do that right now. guh
The text was updated successfully, but these errors were encountered: