[gmx-users] Re: Error in Membrane simulations with POPC bilayer

J Peterson think_beyond at aol.com
Tue Jul 24 06:57:17 CEST 2012


Hi Justin,

That works really fine and thanks.

Now, how can I add additional SOL molecules only one side of the bilayer
(either upper or lower)? Since my protein binds at the outer side
(extracellular region) of the membrane I can only fill the upper
(extracellular) region with SOL molecules instead of adding them also inside
the membrane, to reduce the system size ?

Can we do magic here with any commands to add SOL molecules only single side
of the membrane?

Thanks

Peterson J



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