On Tue, Feb 13, 2018, Aashish Bhatt wrote:
> PLP bound with lysine, plp(C==N)Lys. If i used bond command, parameter is
> not found of nitrogen.
You will probably have to find analogous bonding situations, and borrow
parameters from that. Generate a small molecule model system, and use
quantum chemistry or use GAFF, and transfer the parameters from that.
Are you sure that no one else has prepared parameters for this type of
interaction? Doing a literature search is often the best way to build on the
work of others.
....good luck....dac
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Received on Tue Feb 13 2018 - 10:00:02 PST
