On May 28, 2007, at 4:01 PM, Sheyore Omovie wrote:
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.
If you mean moving the molecules wrt each other, that has to be done
outside gromacs.
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 molecule.
g_dist
Cheers,
Erik
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