[gmx-users] forcing structure
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?
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