[gmx-users] Removing water from sides of bilayer

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jan 6 13:22:51 CET 2009


krithika krishnaswamy wrote:
> hello,
> 
> Am a new user to gromacs.how to add water to a bilayer.i tried adding 
> water to entire system and then removed water from sides using tcl 
> script.But its not working.
>  
> Is there anyway to build lipid layer by layer and add water or something 
> can be done with genconf,genbox command so that water will not enter 
> middle region of bilayer.Please provide me with a detailed procedure.

I gave this link to someone several days ago - 
http://wiki.gromacs.org/index.php/Membrane_Simulations

Mark



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