Got it. Thanks.
2012/5/23 David A. Case <case.biomaps.rutgers.edu>
> 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 - 05:00:03 PDT
