> ... when I put the molecule in the protein
> and try to crate the prmtop and inpcrd file, it gives me a bunch of
> warnings for missing parameters (inlcuding bond lengths, angles and
> finally torsions). I think most of these warnings come from the new
> bonds that I make between the molecule and the residues on either
> side.
Assuming the correct atoms are bonded AND of the correct type,
you will need to add the necessary parameters. Make sure the
bonds and types are correct first however!
Bill
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Received on Sun Mar 12 2006 - 06:10:15 PST
