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JOSS paper #158

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65 changes: 65 additions & 0 deletions paper/codemeta.json
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@@ -0,0 +1,65 @@
{
"@context": "https://raw.githubusercontent.com/codemeta/codemeta/master/codemeta.jsonld",
"@type": "Code",
"author": [
{
"@id": "http://orcid.org/0000-0003-1340-0831",
"@type": "Person",
"email": "[email protected]",
"name": "Oliver Beckstein",
"affiliation": "Arizona State University"
},
{
"@id": "",
"@type": "Person",
"email": "",
"name": "Pedro Lacerda",
"affiliation": ""
},
{
"@id": "https://orcid.org/0000-0002-3241-1846",
"@type": "Person",
"email": "[email protected]",
"name": "Richard J. Gowers",
"affiliation": "University of New Hampshire"
},
{
"@id": "",
"@type": "Person",
"email": "[email protected]",
"name": "Ian Kenney",
"affiliation": "Arizona State University"
},
{
"@id": "",
"@type": "Person",
"email": "",
"name": "Andy Somogyi",
"affiliation": ""
},
{
"@id": "",
"@type": "Person",
"email": "",
"name": "Philip Loche",
"affiliation": ""
},
{
"@id": "http://orcid.org/0000-0002-6647-3965",
"@type": "Person",
"email": "[email protected]",
"name": "Andrew D White",
"affiliation": "University of Rochester"
}
],
"identifier": "10.5281/zenodo.17901",
"codeRepository": "https://github.com/Becksteinlab/GromacsWrapper",
"datePublished": "2018-08-17",
"dateModified": "2018-08-17",
"dateCreated": "2018-08-17",
"description": "GromacsWrapper is a Python package that wraps system calls to the Gromacs molecular dynamics tools into thin classes and provides a Python-like API. This allows for fairly seamless integration of the gromacs tools (v4.6.x, v5.x, 2016.x, 2018.x, all with the same Python code) into python scripts. ",
"keywords": "python, molecular-dynamics, gromacs",
"license": "GPL v3.0",
"title": "GromacsWrapper",
"version": "v0.7.0"
}
1 change: 1 addition & 0 deletions paper/paper.bib
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%%% paper.bib for GromacsWrapper paper.md
38 changes: 38 additions & 0 deletions paper/paper.md
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---
title: 'GromacsWrapper: A Python package for galactic dynamics'
tags:
- Python
- molecular-dynamics
- Gromacs
authors:
- name: Oliver Beckstein
orcid: 0000-0003-1340-0831
affiliation: "1, 2" # (Multiple affiliations must be quoted)
- name: Pedro Lacerda
- name: Richard J. Gowers
orcid: 0000-0002-3241-1846
affiliation: 3
- name: Ian Kenney
affiliation: 1
- name: Philip Loche
- name: Andrew D. White
orcid: 0000-0002-6647-3965
affiliation: 4
affiliations:
- name: Department of Physics, Arizona State University
index: 1
- name: Center for Biological Physics, Arizona State University
index: 2
- name: Department of Chemistry, University of New Hampshire
index: 3
- name: Department of Chemical Engineering, University of Rochester
index: 4
date: 17 August 2018
bibliography: paper.bib
---

# Summary

# Acknowledgments

# References