Fitting of valence parameters

Autor: Bannan, Caitlin C., Ehrman, Jordan, Lim, Victoria T., Mobley, David L., Wang, Lee Ping
Jazyk: angličtina
Rok vydání: 2019
Předmět:
DOI: 10.5281/zenodo.3243681
Popis: 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.
Databáze: OpenAIRE