[gmx-users] forcing structure

Magnus Andersson magnus.andersson at chembio.chalmers.se
Tue Aug 2 15:53:02 CEST 2005

> Hi people,
>   This is may problem :-)
> I have 2 PDBs of the same molecule(diferent 3d structure) but the first
> one only have the CA of the molecule ... then i want to force my second
> structure(whole protein) to fit the first(CA only) how can i do this?

Use g_confrms, use both .pdb files as input and specify which residues or
CA should be aligned in two  .ndx files.

Good luck / Magnus

> can i use MD?
> Thanks
> Osmany.
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