On Wed, May 23, 2012, yjzhao.wh.gmail.com wrote:
>
> I want to run a simulation with the special amino acid
> “PTR”. However, the ff12SB could not recognise PTR. There are some
> errors.
Please see tutorials B4 and A1 for instructions on how to create special
residues. You can also consult the contributed parameter database to find
files that can be used for phosphorylated amino acids. (If the database has
what you want, you may not need to follow the steps of the tutorials. The
R.E.D. site also has lots of helpful information about modified amino acid
residues.
....dac
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Received on Wed May 23 2012 - 04:30:04 PDT
