[gmx-users] Two polypeptides in one box

Martin Höfling martin.hoefling at gmx.de
Sun May 20 12:02:59 CEST 2007

Am Samstag, 19. Mai 2007 schrieb Sheyore Omovie:

> I want to simulate interaction between two polypeptides in one box. I have
> read Tsjerk response to a similar question. However, i dont know just how
> to implement it, i.e how do I position two pdb files using editconf and
> create one pdb file. If possible I'll appreciate specific commands on how
> to implement this.

Depending on "how" you wanna align them, I would load them into PyMol (Swiss 
PDB Viewer ... ) and there, you can move, align, mutate ...

... and finally store as a pdb.
Then you can create a topology with pdb2gmx and so on.


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