[gmx-users] Re: set up self assembly for mixture of lipids using genbox

Mark Abraham Mark.Abraham at anu.edu.au
Tue Feb 3 23:25:48 CET 2009

maria goranovic wrote:
> That sounds like a good idea. However, what sort of "cheap physical 
> model" are you suggesting to get rid of the very ordered initial state ?

Cut-off electrostatics with a short cut-off will be cheap and dodgy 
enough for the purpose.

One could play with NPT at low pressure to create larger gaps for the 
lipids to diffuse through, then return to a normal pressure, but this 
might be overkill.

Obviously, editconf -translate is your friend in the construction stage.


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