On Mon, Feb 22, 2016, maryam azimzadehirani wrote:
> I am trying to save parm and top file in leap but I am getting error with
> disulfid bonds repeatedly. I have renamed bonded cys to cyx and I have
> checked the bond commands. Please let me know what is the problem. I can
> send you the pdb if needed.
> Could not find bond parameter for: SH - S
Are you *sure* you changed all the CYS residues to CYX? It looks like you
still have an H bonded to S on one them, which to me implies that at least one
residue name is still CYS rather than CYX.
....dac
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Received on Mon Feb 22 2016 - 05:00:05 PST
