LAMMPS structure generator

Convert a molecular structure file to a LAMMPS data file with force field parameters

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Version 1.1 - published on 12 Nov 2016

doi:10.4231/D34B2X60F cite this

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Abstract

Upload a molecular structure file in any format supported by OpenBabel.  Click Simulate to generate a LAMMPS data file with specific atomic forcefield types.

Cite this work

Researchers should cite this work as follows:

  • Benjamin P Haley (2016), "LAMMPS structure generator," http://nanohub.org/resources/struct2lammps. (DOI: 10.4231/D34B2X60F).

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