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Published March 6, 2023 | Version 2023.4.5
Software Open

molssi-seamm/seamm_ff_util: Added molecule information for LAMMPS

Authors/Creators

  • 1. @pyupio

Description

Added the molecule each atom belongs to, for LAMMPS.

Files

molssi-seamm/seamm_ff_util-2023.4.5.zip

Files (406.1 kB)

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md5:1e821dc33d8ecd773340089f2361ac64
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Additional details

Related works

Is supplement to
https://github.com/molssi-seamm/seamm_ff_util/tree/2023.4.5 (URL)