[gmx-users] problem with bilayer PBC. after dynamics, bilayer becomes 2 monolayers (shift in box center?)

[maria goranovic]

Hello Folks,

I am simulations a lipid bilayer. After minimization, the output .gro file
contains a bilayer that is a layer of water sandwiched between 2 monolayers
of lipids (instead of being the other way around). I guess this has
something to do with the periodic shift in boxes or something. Can someone
please clarify this for me ?

Thank you

-Maria

-- 
Maria G.
Technical University of Denmark
Copenhagen
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