Just following up with an update
<
https://ambermd.org/bugfixes/AmberTools/20.0/update.14>to the ff15ipq-m
force field mentioned below.
All the best,
Lillian
---------- Forwarded message ---------
From: Lillian Chong <ltchong.pitt.edu>
Date: Mon, Dec 21, 2020 at 3:18 PM
Subject: ff15ipq-m force field for protein mimetics
To: <amber.ambermd.org>
Dear All,
I am pleased to announce that the Amber ff15ipq-m force field for protein
mimetics <
https://aip.scitation.org/doi/10.1063/5.0019054> is now available
in AmberTools20 as update.10:
https://ambermd.org/ATPatches.php
The force field include parameters for four classes of commonly-used
artificial backbone units: chirality-reversed D-α-residues, the
Cα-methylated α-residue Aib, homologated β-residues (β3) bearing
proteinogenic side chains, and two cyclic β residues (βcyc; APC and ACPC).
Enjoy and happy holidays!
All the best,
Lillian
--
Lillian T. Chong
Associate Professor
Department of Chemistry
University of Pittsburgh
219 Parkman Avenue
Pittsburgh, PA 15260
she/her/hers
--
Lillian T. Chong
Associate Professor
Department of Chemistry
University of Pittsburgh
219 Parkman Avenue
Pittsburgh, PA 15260
she/her/hers
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jan 12 2021 - 06:00:03 PST
