[gmx-users] insert protein in membrane

David van der Spoel spoel at xray.bmc.uu.se
Tue Dec 18 13:18:43 CET 2007

Magnus Andersson wrote:
> Hi all,
> I have a .top file of a membrane protein (from an earlier project).
> I also managed to generate a .gro file of a simple "membrane" consisting
> of Argon atoms, of a certain volume.
> How can I insert the protein into this membrane? I guess it somehow
> involves how to combine the protein .top file and the membrane .gro file I
> already have.
> (I have tried generating a .top file from the membrane .gro file
> (pdb2gmx), doesn't work. It deletes "duplicate atoms".
> Can someone give me step-by-step instructions to this problem.

> Greatly appreciate your help!
> /Magnus

David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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