[gmx-users] Making holes in lipid bilayers membranes

Erik Lindahl lindahl at stanford.edu
Tue Oct 15 19:30:24 CEST 2002

Graham Smith wrote:

>Hi folks 
>A couple of people have asked me and/or Jose Faraldo-Gomez for the
>code for the modified version of mdrun that can be used to make a hole
>in a lipid bilayer that is the right shape to insert the membrane
>protein of your choice. It does this by reading a molecular surface
>file made by Grasp or MSMS.  (Faraldo-Gomez, Smith and Sansom,
>Eur. Biophys J (2002) 31:217-227). Extra parameters are set in 
>a command-line mdp file read by mdrun.
>I have now uploaded to the Contributions page a tar file containing
>code for an updated version of this, based on gromacs 3.1.4
>(previously it was based on version 2.0).
Wonderful Graham,

Thanks a lot.



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