You can find a library file for phosphothreonine from
http://www.pharmacy.manchester.ac.uk/bryce/amber . Then, just make
sure that you have the name for the phosphothreonine residue in your
PDB, and it will be recognized as long as you load the OFF file in
tleap.
Good luck!
Jason
On Tue, Jan 19, 2010 at 10:31 AM, Christine Baranski
<chbaranski.googlemail.com> wrote:
> Dear All,
>
> I want to have a MD run with a protein having phosphorylated threonin, can
> you please suggest me simple protocol to follow ?
>
> Regards
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Tue Jan 19 2010 - 08:00:04 PST
