[gmx-users] problem in bilayer simulation

Mark Abraham Mark.Abraham at anu.edu.au
Sun Dec 30 22:17:15 CET 2007

pragya chohan wrote:
> Dear Users
> I am doing membrane simulation alternating nvt and npt during production 
> run. After 1250 ps the water from upper leaflet goes towards the lower 
> leaflet and a very thin layer of water remains in the upper leaflet. Is 
> it a common occurance or am I doing some mistake?

Probably you are observing an artefact of periodic boundary conditions - 
see http://wiki.gromacs.org/index.php/Periodic_Boundary_Conditions for 
advice here.


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