On Fri, Oct 30, 2020, mohamed marzouk wrote:
>How u know all the available force fields in this used version of Amber?!
Please look at Chap. 3 ("Molecular Mechanics Force Fields") in the Amber
Reference Manual.
>If I want to use another force field, how can I do this?!as example
>CHARMM36IDPSFF which better to use with IDP
Simplest approach is to use the CHARMM-GUI and ask for Amber format files:
https://ambermd.org/tutorials/CHARMM-GUI.php
[Note that ff19SB/OPC has reasonable performance for IDP's as well. See:
%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
and references therein.]
...dac
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Received on Fri Oct 30 2020 - 05:00:02 PDT
