On Wed, Sep 13, 2017, Michael Shokhen wrote:
>
> I need your advise how to generate by TLEAP topological prmtop
> and initial coordinates inpcrd files for protein with the ionized Og
> atom of SER side residue
The tleap program doesn't do this sort of thing: you need to create a modified
residue for the deprotonated serine. See tutorial B5 for getting started
on making modified amino acid residues.
...good luck....dac
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Received on Thu Sep 14 2017 - 05:30:03 PDT
