/forcefield_ona

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forcefield_ona: A foyer forcefield for mbuild_ona model

  • This forcefield is for the mbuild topology created by mbuild_ona (github.com/zijiewu3/mbuild_ona), a coarse-grained ONA model created within MoSDeF framework.

  • Source: A.F. Ghobadi and A. Jayaraman, Soft Matter (2016), 12, 8, 2276-2287. DOI: 10.1039/C5SM02868J

  • Forcefield file initially created April 30 by Z. Wu.

Additional Notes:

Due to the limitation of foyer's application, care needs to be given that all units in a written-out .top file is, regardless of the indicated units in file, in reduced unit. The write_to_lammps method in mbuild is able to handle the reduced unites ('lj unit') correctly given the appropriate arguments.

Force field DOI

  • DOI