If the parameters you're looking for are not on
http://www.pharmacy.manchester.ac.uk/bryce/amber, you'll have to create a
force field library (mol2 or amber prep) and load the library into leap.
R.E.D. is a good choice of software to use for this task. There is plenty
of documentation on its use and it has a very active, helpful help
community. R.E.D. is linked to from ambermd.org.
Good luck!
Jason
On Thu, Oct 7, 2010 at 12:43 PM, priyanka <baljinder7.gmail.com> wrote:
> Greetings to all,
>
> I am trying to simulate protein in which some residues are phosphorylated,
> i
> tried to search AMBER parameter database but didnt come up with solution.
> Kindly tell me how to modify my protein to get tleap interpretation
> correctly.
> _______________________________________________
> 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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 07 2010 - 11:00:06 PDT
