On Sat, May 18, 2019, Karolina Mitusińska (Markowska) wrote:
>
>are the force fields for intrinsically disordered proteins available to
>download? If so, where can I download for example *ff99IDP *or* ff14IDP*?
Amber doesn't supply these variants, but you may be able to find them
elsewhere. The ff14IDP paper has a section on "integrating with Amber
ff14SB force field" that provides details (although I've not done this
myself.)
You may also find the following paper to be of interest:
%A P. Shabane
%A S. Izadi
%A A.V. Onufriev
%T General Purpose Water Model Can Improve Atomistic Simulations of Intrinsically Disordered Proteins
%J J. Chem. Theory Comput.
%V 15
%P 2620-2634
%D 2019
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun May 19 2019 - 05:30:01 PDT
