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Fitting of valence parameters

Tersimpan di:
Main Authors: Bannan, Caitlin C., Ehrman, Jordan, Lim, Victoria T., Mobley, David L., Wang, Lee Ping
Format: info Proceeding
Bahasa: eng
Terbitan: , 2019
Subjects:
Open Force Field Initiative
SMIRNOFF
force field
valence
ForceBalance
impropers
Online Access: https://zenodo.org/record/3243681
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Internet

https://zenodo.org/record/3243681

Lihat Juga

  • ForceBalance Fitting Tutorial
    oleh: Jang, Hyesu, et al.
    Terbitan: (2020)
  • ForceBalance: Near-term parameter optimization strategy
    oleh: Wang, Lee Ping, et al.
    Terbitan: (2019)
  • Datasets associated with "Improving Small Molecule Force Fields by Identifying and Characterizing Small Molecules with Inconsistent Parameters"
    oleh: Ehrman, Jordan N., et al.
    Terbitan: (2020)
  • Software Science at the Open Force Field Consortium
    oleh: Wagner, Jeffrey, et al.
    Terbitan: (2020)
  • open-forcefield-group/smirff99Frosst: Version 1.0.4
    oleh: David L. Mobley, et al.
    Terbitan: (2017)
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