[gmx-users] Polypeptide interaction

Sheyore Omovie omovie_johnnie at hotmail.com
Mon May 28 16:01:01 CEST 2007

Hi gromacs users,
I have succeeded in placing two polypeptides in a box.
However my objective is to model the interaction between the central alpha 
c-atoms of both molecules. In particular the distance between them.
My question is how do I implement distance between them before simulation, 
as the molecules seem to be stuck together when I checked the pdb file.
I would also appreciate advice on how to get the results after simulation, 
i.e the distance between the central alpha c-atom and the atoms of the other 

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