A parallel algorithm of F3/F4 order parameters for molecular dynamics

A program for calculating F3 and F4 order parameters of water molecules, can be used in ICE, hydrate system.

Bibliographic Details
Main Author: Yujie Liu
Format: Software
Language:unknown
Published: 2021
Subjects:
GROMACS
Molecular Dynamics
Lammps
Order parameters
methane hydrate
Methane hydrate
Online Access:https://zenodo.org/record/5534327
https://doi.org/10.5281/zenodo.5534327
id ftzenodo:oai:zenodo.org:5534327
record_format openpolar
spelling ftzenodo:oai:zenodo.org:5534327 2023-05-15T17:11:40+02:00 A parallel algorithm of F3/F4 order parameters for molecular dynamics Yujie Liu 2021-09-24 https://zenodo.org/record/5534327 https://doi.org/10.5281/zenodo.5534327 unknown doi:10.5281/zenodo.5528380 https://zenodo.org/record/5534327 https://doi.org/10.5281/zenodo.5534327 oai:zenodo.org:5534327 info:eu-repo/semantics/closedAccess GROMACS Molecular Dynamics Lammps Order parameters methane hydrate info:eu-repo/semantics/other software 2021 ftzenodo https://doi.org/10.5281/zenodo.553432710.5281/zenodo.5528380 2023-03-11T03:13:15Z A program for calculating F3 and F4 order parameters of water molecules, can be used in ICE, hydrate system. Software Methane hydrate Zenodo
institution Open Polar
collection Zenodo
op_collection_id ftzenodo
language unknown
topic GROMACS
Molecular Dynamics
Lammps
Order parameters
methane hydrate
spellingShingle GROMACS
Molecular Dynamics
Lammps
Order parameters
methane hydrate
Yujie Liu
A parallel algorithm of F3/F4 order parameters for molecular dynamics
topic_facet GROMACS
Molecular Dynamics
Lammps
Order parameters
methane hydrate
description A program for calculating F3 and F4 order parameters of water molecules, can be used in ICE, hydrate system.
format Software
author Yujie Liu
author_facet Yujie Liu
author_sort Yujie Liu
title A parallel algorithm of F3/F4 order parameters for molecular dynamics
title_short A parallel algorithm of F3/F4 order parameters for molecular dynamics
title_full A parallel algorithm of F3/F4 order parameters for molecular dynamics
title_fullStr A parallel algorithm of F3/F4 order parameters for molecular dynamics
title_full_unstemmed A parallel algorithm of F3/F4 order parameters for molecular dynamics
title_sort parallel algorithm of f3/f4 order parameters for molecular dynamics
publishDate 2021
url https://zenodo.org/record/5534327
https://doi.org/10.5281/zenodo.5534327
genre Methane hydrate
genre_facet Methane hydrate
op_relation doi:10.5281/zenodo.5528380
https://zenodo.org/record/5534327
https://doi.org/10.5281/zenodo.5534327
oai:zenodo.org:5534327
op_rights info:eu-repo/semantics/closedAccess
op_doi https://doi.org/10.5281/zenodo.553432710.5281/zenodo.5528380
_version_ 1766068449994342400

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