Fitting of valence parameters

Main Authors: Bannan, Caitlin C., Ehrman, Jordan, Lim, Victoria T., Mobley, David L., Wang, Lee Ping
Format: info Proceeding
Bahasa: eng
Terbitan: , 2019
Subjects:
Online Access: https://zenodo.org/record/3243681
Daftar Isi:
  • David Mobley, Lee-Ping Wang, and Victoria Lim discuss plans for (and progress towards) fitting of non-torsion valence terms within SMIRNOFF force fields at the Open Force Field Consortium Workshop in San Diego, Jan 8 2019.