[gmx-users] more than one drug in lipid?

Justin A. Lemkul jalemkul at vt.edu
Wed Aug 13 18:08:22 CEST 2008

serdar durdagi wrote:
> Dear all,
> I would like to make a series of simulation with drug in lipid with 
> increasing concentration.
> In order to combine two files and delete overlapping lipid molecules 
> from the ligand, I am using genbox option (genbox -cp drg.pdb -cs 
> lipid.pdb -o lipid2.pdb).
> For more than one drug, how can I use this option?

Have multiple drug molecules present in the drg.pdb file, but at such a distance 
that lipids can actually be placed between them without generating enormous voids.


> Thank you.
> Serdar
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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