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

maria goranovic mariagoranovic at gmail.com
Mon Mar 31 11:32:28 CEST 2008

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 G.
Technical University of Denmark
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