From 493875fcd732c6f487c79969d8fe4147747ebbca Mon Sep 17 00:00:00 2001 From: Chris Brasnett <35073246+csbrasnett@users.noreply.github.com> Date: Tue, 17 Sep 2024 13:19:01 +0200 Subject: [PATCH] update paper compilation --- .github/workflows/draft-pdf.yml | 8 ++++++-- JOSS/paper.md | 4 ++-- 2 files changed, 8 insertions(+), 4 deletions(-) diff --git a/.github/workflows/draft-pdf.yml b/.github/workflows/draft-pdf.yml index 2329ceb..3d8257f 100644 --- a/.github/workflows/draft-pdf.yml +++ b/.github/workflows/draft-pdf.yml @@ -1,5 +1,9 @@ name: Draft PDF -on: [push] +on: + push: + paths: + - JOSS/** + - .github/workflows/draft-pdf.yml jobs: paper: @@ -21,4 +25,4 @@ jobs: # This is the output path where Pandoc will write the compiled # PDF. Note, this should be the same directory as the input # paper.md - path: paper.pdf + path: JOSS/paper.pdf diff --git a/JOSS/paper.md b/JOSS/paper.md index 25e440a..c95eb4b 100644 --- a/JOSS/paper.md +++ b/JOSS/paper.md @@ -20,7 +20,7 @@ bibliography: paper.bib --- -# Introduction +# Statement of need Coarse-grained molecular dynamics simulations have significant advantages over higher resolution ones in accessing timescales and processes that are otherwise difficult to reach @@ -159,7 +159,7 @@ molecular motors together with a lipid bilayer of several different lipid types. | Process Gō networks in proteins, as defined in nonbond.itp into separate visualisation topologies | `MartiniGlass -p topol.top -go -gf nonbond.itp` | | Write out visualisation associated files (cg_bonds-v6.tcl, vis.vmd) in the current directory | `MartiniGlass -p topol.top -vf` | -# Conclusions +# Summary Here, we have presented an overview of a new tool, MartiniGlass, which makes it possible to better visualise coarse-grained molecules from the Martini forcefield, and their simulations. A selection of how MartiniGlass